(1-Chloropropyl)cyclopropane

CAS Number: 88106-23-4
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CCC(C1CC1)Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
C6H11Cl
Molecular Weight
118.606
Drug-likeness
0.10973
CAS
88106-23-4
InChI key
IUCBRIGKYKSZMU-LURJTMIESA-N
SMILES
CCC(C1CC1)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 88106-23-4
Molecule Name (1-Chloropropyl)cyclopropane
Molecular Formula C6H11Cl
SMILES CCC(C1CC1)Cl
InChI InChI=1S/C6H11Cl/c1-2-6(7)5-3-4-5/h5-6H,2-4H2,1H3/t6-/m0/s1
InChI Key IUCBRIGKYKSZMU-LURJTMIESA-N
CanonicalSyTyLFy 5ba75c2090514ee7
TotalMolweight 118.606
Molecular Weight 118.606
MonoisotopicMass 118.054927
CLogP 2.3854
CLogS -2.367
TotalSurfaceArea 93.96
Drug-likeness 0.10973
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.64131
Molecular Complexity 0.59725
Fragments 1
Non HAtoms 7
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 6
Symmetricatoms 1
StereoCon racemate

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