(2-Chloroethoxy)cyclopropane

CAS Number: 17714-18-0
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ClCCOC1CC1
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: high
Formula
C5H9OCl
Molecular Weight
120.578
Drug-likeness
-1.065
CAS
17714-18-0
InChI key
UAVNLVWTJMUQOW-UHFFFAOYSA-N
SMILES
ClCCOC1CC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 17714-18-0
Molecule Name (2-Chloroethoxy)cyclopropane
Molecular Formula C5H9OCl
SMILES ClCCOC1CC1
InChI InChI=1S/C5H9ClO/c6-3-4-7-5-1-2-5/h5H,1-4H2
InChI Key UAVNLVWTJMUQOW-UHFFFAOYSA-N
CanonicalSyTyLFy 58bc32e974daf084
TotalMolweight 120.578
Molecular Weight 120.578
MonoisotopicMass 120.034192
CLogP 1.2374
CLogS -1.77
H Acceptors 1
TotalSurfaceArea 92.96
Relative PSA 0.10757
PolarSurfaceArea 9.23
Drug-likeness -1.065
Mutagenic low
Tumorigenic high
Reproductive Effective high
Irritant high
Shape Index 0.85714
Molecula Flexibility 0.64919
Molecular Complexity 0.59725
Fragments 1
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Sp3Atoms 6
Symmetricatoms 1

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