{3-[(Morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}(phenyl)methanone--hydrogen chloride (1/1)

Formula:HCl.C20H21NO4 CAS:100022-13-7 ChemrytIQ

PropertyValue
Casrn100022-13-7
MolName{3-[(Morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}(phenyl)methanone--hydrogen chloride (1/1)
MolecularFormulaHCl.C20H21NO4
SmilesO=C(c1ccccc1)c(cc1)cc2c1OCC(CN1CCOCC1)O2.Cl
InChIInChI=1S/C20H21NO4.ClH/c22-20(15-4-2-1-3-5-15)16-6-7-18-19(12-16)25-17(14-24-18)13-21-8-10-23-11-9-21;/h1-7,12,17H,8-11,13-14H2;1H/t17-;/m0./s1
InChIKXMDJIURQLSRTIO-LMOVPXPDSA-N
CanonicalSyTyLFy342195540f676682
TotalMolweight375.851
Molweight339.39
MonoisotopicMass339.147059
CLogP2.3556
CLogS-3.466
H Acceptors5
TotalSurfaceArea259.13
Relative PSA0.17979
PolarSurfaceArea48
Druglikeness2.3133
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Molecula Flexibility0.40642
Molecular Complexity0.76921
Fragments2
Non HAtoms25
NonCHAtoms5
Electronegative Atoms5
StereoCenters1
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms11
Symmetricatoms4
Amines1
AlkylAmines1
BasicNitrogens1
StereoConracemate
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-51-6highhighhighC7H8O108.14-2.2456 ChemrytIQ
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100-01-6nonenonenoneC6H6N2O2138.126-7.2389 ChemrytIQ
100-10-7nonehighhighC9H11NO149.192-1.8715 ChemrytIQ
100-52-7highhighhighC7H6O106.124-4.225 ChemrytIQ
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6 ChemrytIQ
100031-76-3nonenonenoneC30H44NO8P577.652-46.719 ChemrytIQ
100-39-0highhighnoneC7H7Br171.037-7.8241 ChemrytIQ
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
1000284-53-6nonenonehighC18H36O2284.482-15.583 ChemrytIQ
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683 ChemrytIQ
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074 ChemrytIQ
100-45-8nonenonehighC7H9N107.155-10.018 ChemrytIQ
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100-41-4highhighhighC8H10106.167-2.68 ChemrytIQ
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10001-13-5nonenonehighC12H22N2O210.323.9217 ChemrytIQ
1000-43-7highhighhighC8H18Cl2Si213.223-31.848 ChemrytIQ
1000-16-4nonenonenoneC13H30NO3P279.359-34.244 ChemrytIQ
100007-54-3nonenonenoneC28H30O13574.533-1.9839 ChemrytIQ
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436 ChemrytIQ
100-25-4nonenonenoneC6H4N2O4168.108-7.74 ChemrytIQ
100-06-1nonenonenoneC9H10O2150.176-1.6836 ChemrytIQ
1000-83-5lowhighhighC2H6N2OS106.149-2.264 ChemrytIQ
100008-36-4nonenonenoneC17H22O2258.36-5.6379 ChemrytIQ
10-31-2001nonenonenoneC21H28NO6P421.428-10.542 ChemrytIQ
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242 ChemrytIQ
100-70-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858 ChemrytIQ
100004-81-7nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124 ChemrytIQ
100004-54-4nonehighnoneC4H8Te183.708-3.9699 ChemrytIQ
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248 ChemrytIQ
100020-95-9highnonelowC12H17OCl212.719-11.962 ChemrytIQ
100-75-4highhighhighC5H10N2O114.147-0.86877 ChemrytIQ
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907 ChemrytIQ
1000284-35-4nonenonehighC16H24O4280.363-11.936 ChemrytIQ
100004-94-2nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
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100004-79-3nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
100-79-8nonelownoneC6H12O3132.158-9.8672 ChemrytIQ
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575 ChemrytIQ
100003-81-4highhighnoneC8H7N2OClS214.6761.4208 ChemrytIQ
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100-53-8nonehighhighC7H8S124.207-6.3177 ChemrytIQ
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