(2-Chlorophenyl)diphenylmethanol

CAS Number: 66774-02-5
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OC(c1ccccc1)(c1ccccc1)c(cccc1)c1Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C19H15OCl
Molecular Weight
294.78
Drug-likeness
-0.61761
CAS
66774-02-5
InChI key
KTVAHLGKTSPDOG-UHFFFAOYSA-N
SMILES
OC(c1ccccc1)(c1ccccc1)c(cccc1)c1Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 66774-02-5
Molecule Name (2-Chlorophenyl)diphenylmethanol
Molecular Formula C19H15OCl
SMILES OC(c1ccccc1)(c1ccccc1)c(cccc1)c1Cl
InChI InChI=1S/C19H15ClO/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,21H
InChI Key KTVAHLGKTSPDOG-UHFFFAOYSA-N
CanonicalSyTyLFy 1f7cb6a28e5868dc
TotalMolweight 294.78
Molecular Weight 294.78
MonoisotopicMass 294.081142
CLogP 4.3309
CLogS -3.894
H Acceptors 1
H Donors 1
TotalSurfaceArea 224.96
Relative PSA 0.058233
PolarSurfaceArea 20.23
Drug-likeness -0.61761
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant none
Shape Index 0.42857
Molecula Flexibility 0.45107
Molecular Complexity 0.74106
Fragments 1
Non HAtoms 21
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 18
Sp3Atoms 2
Symmetricatoms 8

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