(1-Cyclohexylideneethyl)benzene

CAS Number: 55983-32-9
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CC(c1ccccc1)=C1CCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
C14H18
Molecular Weight
186.297
Drug-likeness
-6.2883
CAS
55983-32-9
InChI key
ZBJZEJCUSITMIF-UHFFFAOYSA-N
SMILES
CC(c1ccccc1)=C1CCCCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 55983-32-9
Molecule Name (1-Cyclohexylideneethyl)benzene
Molecular Formula C14H18
SMILES CC(c1ccccc1)=C1CCCCC1
InChI InChI=1S/C14H18/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChI Key ZBJZEJCUSITMIF-UHFFFAOYSA-N
CanonicalSyTyLFy c78c6e359aeff5c4
TotalMolweight 186.297
Molecular Weight 186.297
MonoisotopicMass 186.14085
CLogP 4.0196
CLogS -3.273
TotalSurfaceArea 163.74
Drug-likeness -6.2883
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant low
Shape Index 0.64286
Molecula Flexibility 0.38864
Molecular Complexity 0.59634
Fragments 1
Non HAtoms 14
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 6
Symmetricatoms 4

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