(2-Phenylethenyl)phosphane

CAS Number: 65094-30-6
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PC=Cc1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H9P
Molecular Weight
136.133
Drug-likeness
-3.66
CAS
65094-30-6
InChI key
KGXCHACLIFYNOP-UHFFFAOYSA-N
SMILES
PC=Cc1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 65094-30-6
Molecule Name (2-Phenylethenyl)phosphane
Molecular Formula C8H9P
SMILES PC=Cc1ccccc1
InChI InChI=1S/C8H9P/c9-7-6-8-4-2-1-3-5-8/h1-7H,9H2
InChI Key KGXCHACLIFYNOP-UHFFFAOYSA-N
CanonicalSyTyLFy b530016d83aa4972
TotalMolweight 136.133
Molecular Weight 136.133
MonoisotopicMass 136.044187
CLogP 1.9158
CLogS -2.638
TotalSurfaceArea 93.01
Drug-likeness -3.66
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.77778
Molecula Flexibility 0.34239
Molecular Complexity 0.57565
Fragments 1
Non HAtoms 9
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Symmetricatoms 2

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