(2-Chlorophenyl)(ethyl)(4-methylphenyl)arsane

CAS Number: 83627-14-9
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CC[As](c1ccc(C)cc1)c(cccc1)c1Cl
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: high
Formula
C15H16AsCl
Molecular Weight
306.667
Drug-likeness
-1.755
CAS
83627-14-9
InChI key
WTJTYBFHPXSYBX-UHFFFAOYSA-N
SMILES
CC[As](c1ccc(C)cc1)c(cccc1)c1Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 83627-14-9
Molecule Name (2-Chlorophenyl)(ethyl)(4-methylphenyl)arsane
Molecular Formula C15H16AsCl
SMILES CC[As](c1ccc(C)cc1)c(cccc1)c1Cl
InChI InChI=1S/C15H16AsCl/c1-3-16(13-10-8-12(2)9-11-13)14-6-4-5-7-15(14)17/h4-11H,3H2,1-2H3
InChI Key WTJTYBFHPXSYBX-UHFFFAOYSA-N
CanonicalSyTyLFy 6bc79195ef283503
TotalMolweight 306.667
Molecular Weight 306.667
MonoisotopicMass 306.015646
CLogP 4.6642
CLogS -5.901
TotalSurfaceArea 193.47
Drug-likeness -1.755
Mutagenic high
Tumorigenic low
Reproductive Effective low
Irritant high
Nasty Functions unwanted atom
Shape Index 0.58824
Molecula Flexibility 0.48694
Molecular Complexity 0.62054
Fragments 1
Non HAtoms 17
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 3
Symmetricatoms 2

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