(2-Chloroethenyl)(diphenyl)stannane

CAS Number: 61726-40-7
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ClC=C[Sn](c1ccccc1)c1ccccc1
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: low
Formula
C14H12ClSn
Molecular Weight
334.412
Drug-likeness
-4.3422
CAS
61726-40-7
InChI key
OLLQXOQPZXCMDK-UHFFFAOYSA-N
SMILES
ClC=C[Sn](c1ccccc1)c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: low | Reproductive effective: high
PropertyValue
CAS Number 61726-40-7
Molecule Name (2-Chloroethenyl)(diphenyl)stannane
Molecular Formula C14H12ClSn
SMILES ClC=C[Sn](c1ccccc1)c1ccccc1
InChI InChI=1S/2C6H5.C2H2Cl.Sn.H/c2*1-2-4-6-5-3-1;1-2-3;;/h2*1-5H;1-2H;;
InChI Key OLLQXOQPZXCMDK-UHFFFAOYSA-N
CanonicalSyTyLFy a0fa7cd38b943e5c
TotalMolweight 334.412
Molecular Weight 334.412
MonoisotopicMass 334.964952
CLogP 3.3185
CLogS -3.028
TotalSurfaceArea 181.69
Drug-likeness -4.3422
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant low
Nasty Functions unwanted atom
Shape Index 0.5625
Molecula Flexibility 0.42337
Molecular Complexity 0.52698
Fragments 1
Non HAtoms 16
NonCHAtoms 2
Metal Atoms 1
Electronegative Atoms 1
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Symmetricatoms 8

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