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

CAS Number: 84350-74-3
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O=P(c1ccccc1)(c1ccccc1)c(cccc1)c1F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C18H14OFP
Molecular Weight
296.28
Drug-likeness
-15.919
CAS
84350-74-3
InChI key
MTSVGCFANKMACF-UHFFFAOYSA-N
SMILES
O=P(c1ccccc1)(c1ccccc1)c(cccc1)c1F
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 84350-74-3
Molecule Name (2-Fluorophenyl)(oxo)diphenyl-lambda~5~-phosphane
Molecular Formula C18H14OFP
SMILES O=P(c1ccccc1)(c1ccccc1)c(cccc1)c1F
InChI InChI=1S/C18H14FOP/c19-17-13-7-8-14-18(17)21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChI Key MTSVGCFANKMACF-UHFFFAOYSA-N
CanonicalSyTyLFy bef6f486c8add8d9
TotalMolweight 296.28
Molecular Weight 296.28
MonoisotopicMass 296.07663
CLogP 4.5613
CLogS -5.169
H Acceptors 1
TotalSurfaceArea 222.9
Relative PSA 0.076357
PolarSurfaceArea 26.88
Drug-likeness -15.919
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 3
Electronegative Atoms 3
Rotatable Bond 3
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 18
Sp3Atoms 1
Symmetricatoms 8

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