(2-Methylphenyl)(oxo)diphenyl-lambda~5~-phosphane

CAS Number: 6840-26-2
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Cc(cccc1)c1P(c1ccccc1)(c1ccccc1)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C19H17OP
Molecular Weight
292.317
Drug-likeness
-14.63
CAS
6840-26-2
InChI key
OAWNLHYHBAVUHJ-UHFFFAOYSA-N
SMILES
Cc(cccc1)c1P(c1ccccc1)(c1ccccc1)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 6840-26-2
Molecule Name (2-Methylphenyl)(oxo)diphenyl-lambda~5~-phosphane
Molecular Formula C19H17OP
SMILES Cc(cccc1)c1P(c1ccccc1)(c1ccccc1)=O
InChI InChI=1S/C19H17OP/c1-16-10-8-9-15-19(16)21(20,17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15H,1H3
InChI Key OAWNLHYHBAVUHJ-UHFFFAOYSA-N
CanonicalSyTyLFy 64e58bb8dea70e10
TotalMolweight 292.317
Molecular Weight 292.317
MonoisotopicMass 292.101702
CLogP 4.8044
CLogS -5.199
H Acceptors 1
TotalSurfaceArea 228.81
Relative PSA 0.074385
PolarSurfaceArea 26.88
Drug-likeness -14.63
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.42857
Molecula Flexibility 0.43238
Molecular Complexity 0.64441
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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