(2-Chloroethyl)phosphanone

CAS Number: 103915-70-4
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O=PCCCl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
C2H4OClP
Molecular Weight
110.48
Drug-likeness
-10.985
CAS
103915-70-4
InChI key
ORLNWNBHBDCKNS-UHFFFAOYSA-N
SMILES
O=PCCCl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 103915-70-4
Molecule Name (2-Chloroethyl)phosphanone
Molecular Formula C2H4OClP
SMILES O=PCCCl
InChI InChI=1S/C2H4ClOP/c3-1-2-5-4/h1-2H2
InChI Key ORLNWNBHBDCKNS-UHFFFAOYSA-N
CanonicalSyTyLFy e075761e4e8582d5
TotalMolweight 110.48
Molecular Weight 110.48
MonoisotopicMass 109.968829
CLogP 0.34
CLogS -1.399
H Acceptors 1
TotalSurfaceArea 62.73
Relative PSA 0.20788
PolarSurfaceArea 51.21
Drug-likeness -10.985
Mutagenic low
Tumorigenic high
Reproductive Effective high
Irritant none
Shape Index 1
Molecula Flexibility 0.78535
Molecular Complexity 0.54931
Fragments 1
Non HAtoms 5
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Sp3Atoms 3

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