(2-Chloroethenyl)(methyl)(naphthalen-1-yl)silyl

CAS Number: 93395-53-0
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C[Si](C=CCl)c1cccc2ccccc12
Molecule Information
Mutagenic: low Tumorigenic: low Irritant: high
Formula
C13H12ClSi
Molecular Weight
231.777
Drug-likeness
-30.412
CAS
93395-53-0
InChI key
SOUQPRWXKJOGAI-UHFFFAOYSA-N
SMILES
C[Si](C=CCl)c1cccc2ccccc12
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
low
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 93395-53-0
Molecule Name (2-Chloroethenyl)(methyl)(naphthalen-1-yl)silyl
Molecular Formula C13H12ClSi
SMILES C[Si](C=CCl)c1cccc2ccccc12
InChI InChI=1S/C13H13ClSi/c1-15(10-9-14)13-8-4-6-11-5-2-3-7-12(11)13/h2-10,15H,1H3
InChI Key SOUQPRWXKJOGAI-UHFFFAOYSA-N
CanonicalSyTyLFy 609773bc4842a406
TotalMolweight 231.777
Molecular Weight 231.777
MonoisotopicMass 231.039679
CLogP 3.8266
CLogS -3.919
TotalSurfaceArea 168.79
Drug-likeness -30.412
Mutagenic low
Tumorigenic low
Reproductive Effective high
Irritant high
Shape Index 0.6
Molecula Flexibility 0.33961
Molecular Complexity 0.6593
Fragments 1
Non HAtoms 15
NonCHAtoms 2
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 10
Sp3Atoms 1
StereoCon racemate

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