3-(2-Bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole

Formula:C14H7N2OBrCl2 CAS:1000339-26-3 ChemrytIQ

PropertyValue
Casrn1000339-26-3
MolName3-(2-Bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
MolecularFormulaC14H7N2OBrCl2
SmilesClc(cc1)cc(Cl)c1-c1nc(-c(cccc2)c2Br)no1
InChIInChI=1S/C14H7BrCl2N2O/c15-11-4-2-1-3-9(11)13-18-14(20-19-13)10-6-5-8(16)7-12(10)17/h1-7H
InChIKMSJONQGCEQKHBO-UHFFFAOYSA-N
CanonicalSyTyLFy4b55ad961f2a8aaf
TotalMolweight370.033
Molweight370.033
MonoisotopicMass367.911878
CLogP5.1694
CLogS-7.686
H Acceptors3
TotalSurfaceArea229.46
Relative PSA0.15711
PolarSurfaceArea38.92
Druglikeness-0.59356
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Molecula Flexibility0.37027
Molecular Complexity0.79161
Fragments1
Non HAtoms20
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Aromatic Nitrogens2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749 ChemrytIQ
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216 ChemrytIQ
10003-42-6nonenonenoneC11H11NO4221.211-4.7046 ChemrytIQ
100012-67-7highhighhighC12H12O5236.222-19.846 ChemrytIQ
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943 ChemrytIQ
100-75-4highhighhighC5H10N2O114.147-0.86877 ChemrytIQ
100-49-2nonenonenoneC7H14O114.187-9.3679 ChemrytIQ
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712 ChemrytIQ
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6 ChemrytIQ
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815 ChemrytIQ
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052 ChemrytIQ
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465 ChemrytIQ
1000018-26-7nonenonenoneC16H23NO3277.363-15.052 ChemrytIQ
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078 ChemrytIQ
100-66-3highnonehighC7H8O108.14-2.0846 ChemrytIQ
10003-69-7nonenonenoneC10H14O8S4390.4770.2775 ChemrytIQ
100-57-2highlowlowC6H6OHg294.703-2.3891 ChemrytIQ
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981 ChemrytIQ
100033-28-1lownonehighC6H9N7179.186-2.3035 ChemrytIQ
100-14-1highhighlowC7H6NO2Cl171.583-7.5061 ChemrytIQ
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756 ChemrytIQ
1000018-48-3nonenonenoneC12H15NO4S269.321.5148 ChemrytIQ
100-51-6highhighhighC7H8O108.14-2.2456 ChemrytIQ
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731 ChemrytIQ
1000068-23-4nonelownoneC14H18NO5B291.11-44.603 ChemrytIQ
100031-88-7nonenonehighC10H30O3Si4310.689-53.619 ChemrytIQ
100-07-2highhighlowC8H7O2Cl170.595-10.49 ChemrytIQ
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249 ChemrytIQ
10-18-2004nonenonenoneC6H8OS2160.261-3.1913 ChemrytIQ
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651 ChemrytIQ
100008-84-2nonenonenoneC22H14N2O2338.3653.1859 ChemrytIQ
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638 ChemrytIQ
10001-52-2highhighnoneC11H10N6O3S306.3056.7202 ChemrytIQ
1000269-67-9nonenonenoneC13H22N4234.3460.99367 ChemrytIQ
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
100-01-6nonenonenoneC6H6N2O2138.126-7.2389 ChemrytIQ
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762 ChemrytIQ
100-64-1highhighnoneC6H11NO113.159-6.4182 ChemrytIQ
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994 ChemrytIQ
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218 ChemrytIQ
100-02-7nonenonenoneC6H5NO3139.11-7.5665 ChemrytIQ
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766 ChemrytIQ
100-41-4highhighhighC8H10106.167-2.68 ChemrytIQ
10002-30-9nonenonenoneC12H9NOS215.2750.083087 ChemrytIQ
1000000-13-4highhighhighC21H28O12472.441-0.17986 ChemrytIQ
1000339-45-6nonenonehighC8H14O2F2180.193-28.199 ChemrytIQ
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951 ChemrytIQ
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529 ChemrytIQ
10001-51-1nonenonenoneC9H18N2O170.2555.9677 ChemrytIQ
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326 ChemrytIQ
100-48-1nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282 ChemrytIQ
100004-80-6nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371 ChemrytIQ
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592 ChemrytIQ
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285 ChemrytIQ
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354 ChemrytIQ
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356 ChemrytIQ
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568 ChemrytIQ