Caustinerf

Formula:C6H5OCl.C10H16O.CH2O CAS:100016-73-7 ChemrytIQ

PropertyValue
Casrn100016-73-7
MolNameCaustinerf
MolecularFormulaC6H5OCl.C10H16O.CH2O
SmilesCC(C)(C(CC1)C2)C1(C)C2=O.C=O.Oc(cc1)ccc1Cl
InChIInChI=1S/C10H16O.C6H5ClO.CH2O/c1-9(2)7-4-5-10(9,3)8(11)6-7;7-5-1-3-6(8)4-2-5;1-2/h7H,4-6H2,1-3H3;1-4,8H;1H2
InChIKBPBFTWFEDDZSSY-UHFFFAOYSA-N
CanonicalSyTyLFy9606a0441de2ee0e
TotalMolweight310.82
Molweight152.236
MonoisotopicMass152.120115
CLogP2.1793
CLogS-2.452
H Acceptors1
TotalSurfaceArea115.63
Relative PSA0.11277
PolarSurfaceArea17.07
Druglikeness-3.7075
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.45455
Molecular Complexity0.74432
Fragments3
Non HAtoms11
NonCHAtoms1
Electronegative Atoms1
StereoCenters2
Rings Closures2
Small Rings3
Sp3Atoms9
Symmetricatoms1
StereoConunknown chirality
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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1000-05-1nonenonehighC8H26O3Si4282.635-83.299 ChemrytIQ
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371 ChemrytIQ
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647 ChemrytIQ
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
100-18-5nonenonenoneC12H18162.275-2.5088 ChemrytIQ
1000339-31-0nonenonehighC12H16NCl209.7190.65299 ChemrytIQ
100-44-7highhighnoneC7H7Cl126.586-2.365 ChemrytIQ
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574 ChemrytIQ
100-94-7nonenonenoneCl.C16H20N226.342-1.9788 ChemrytIQ
1000-41-5nonenonelowC10H18O154.252-9.05 ChemrytIQ
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916 ChemrytIQ
1000018-07-4nonenonenoneC14H13N3O239.2771.9531 ChemrytIQ
1000-87-9nonenonenoneC7H1296.1723-2.6557 ChemrytIQ
100-93-6highhighhighC19H18N2O2S338.43-12.848 ChemrytIQ
10-18-2004nonenonenoneC6H8OS2160.261-3.1913 ChemrytIQ
100-39-0highhighnoneC7H7Br171.037-7.8241 ChemrytIQ
1000-16-4nonenonenoneC13H30NO3P279.359-34.244 ChemrytIQ
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141 ChemrytIQ
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874 ChemrytIQ
100-70-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
100-73-2highnonenoneC6H8O2112.128-6.3422 ChemrytIQ
100-55-0nonenonenoneC6H7NO109.128-1.9045 ChemrytIQ
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216 ChemrytIQ
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405 ChemrytIQ
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465 ChemrytIQ
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218 ChemrytIQ
10001-51-1nonenonenoneC9H18N2O170.2555.9677 ChemrytIQ
1000-50-6nonenonehighC6H15ClSi150.724-84.768 ChemrytIQ
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509 ChemrytIQ
100011-00-5nonenonenoneC15H24O2236.354-18.044 ChemrytIQ
10000-42-7highhighlowC20H18N4O3362.388-5.7793 ChemrytIQ
10001-13-5nonenonehighC12H22N2O210.323.9217 ChemrytIQ
1000-57-3highnonelowC6H16SSn238.969-7.4261 ChemrytIQ
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885 ChemrytIQ
1000018-26-7nonenonenoneC16H23NO3277.363-15.052 ChemrytIQ
100-38-9nonenonehighC6H15NS133.2580.17671 ChemrytIQ
100-85-6nonenonenoneHO.C10H16N150.244-2.6575 ChemrytIQ
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988 ChemrytIQ
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176 ChemrytIQ
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575 ChemrytIQ
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249 ChemrytIQ
10003-42-6nonenonenoneC11H11NO4221.211-4.7046 ChemrytIQ
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137 ChemrytIQ
100-87-8nonenonenoneC7H8O3S172.204-10.732 ChemrytIQ
100004-92-0nonenonenoneC16H11NO2249.268-1.5746 ChemrytIQ
1000-43-7highhighhighC8H18Cl2Si213.223-31.848 ChemrytIQ
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568 ChemrytIQ
100033-59-8nonenonenoneC8H16N2140.2290.9406 ChemrytIQ
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6 ChemrytIQ
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951 ChemrytIQ
100-68-5nonenonenoneC7H8S124.207-1.735 ChemrytIQ
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793 ChemrytIQ
100-56-1highlowlowC6H5ClHg313.149-2.3575 ChemrytIQ
100-34-5nonenonenoneCl.C6H5N2105.12-4.365 ChemrytIQ