(1-Chlorononyl)cyclopropane

CAS Number: 65534-74-9
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CCCCCCCCC(C1CC1)Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C12H23Cl
Molecular Weight
202.768
Drug-likeness
-17.906
CAS
65534-74-9
InChI key
PFZJOIQTGKCJEK-LBPRGKRZSA-N
SMILES
CCCCCCCCC(C1CC1)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 65534-74-9
Molecule Name (1-Chlorononyl)cyclopropane
Molecular Formula C12H23Cl
SMILES CCCCCCCCC(C1CC1)Cl
InChI InChI=1S/C12H23Cl/c1-2-3-4-5-6-7-8-12(13)11-9-10-11/h11-12H,2-10H2,1H3/t12-/m0/s1
InChI Key PFZJOIQTGKCJEK-LBPRGKRZSA-N
CanonicalSyTyLFy 11f78c6af0e2854f
TotalMolweight 202.768
Molecular Weight 202.768
MonoisotopicMass 202.148827
CLogP 5.1118
CLogS -3.987
TotalSurfaceArea 176.52
Drug-likeness -17.906
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.84615
Molecula Flexibility 0.53861
Molecular Complexity 0.42749
Fragments 1
Non HAtoms 13
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 8
Rings Closures 1
Small Rings 1
Sp3Atoms 12
Symmetricatoms 1
StereoCon racemate

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