(2-Chloroethylidene)phosphane

CAS Number: 115561-14-3
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P=CCCl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
C2H4ClP
Molecular Weight
94.4808
Drug-likeness
-4.205
CAS
115561-14-3
InChI key
MAPQYMPMCTVNRY-UHFFFAOYSA-N
SMILES
P=CCCl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 115561-14-3
Molecule Name (2-Chloroethylidene)phosphane
Molecular Formula C2H4ClP
SMILES P=CCCl
InChI InChI=1S/C2H4ClP/c3-1-2-4/h2,4H,1H2
InChI Key MAPQYMPMCTVNRY-UHFFFAOYSA-N
CanonicalSyTyLFy d2dc38aab68a3483
TotalMolweight 94.4808
Molecular Weight 94.4808
MonoisotopicMass 93.973914
CLogP 0.7179
CLogS -1.158
TotalSurfaceArea 49.18
Drug-likeness -4.205
Mutagenic low
Tumorigenic high
Reproductive Effective high
Irritant none
Shape Index 1
Molecula Flexibility 0.48996
Fragments 1
Non HAtoms 4
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Sp3Atoms 2

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