Cyclopentylhydrazinato--hydrogen chlorido (1/2)

CAS Number: 645372-27-6
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NNC1CCCC1.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.HCl.C5H12N2
Molecular Weight
100.164
Drug-likeness
-5.6012
CAS
645372-27-6
InChI key
FPQRIFDTYLBNHV-UHFFFAOYSA-N
SMILES
NNC1CCCC1.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 645372-27-6
Molecule Name Cyclopentylhydrazinato--hydrogen chlorido (1/2)
Molecular Formula HCl.HCl.C5H12N2
SMILES NNC1CCCC1.Cl.Cl
InChI InChI=1S/C5H12N2.2ClH/c6-7-5-3-1-2-4-5;;/h5,7H,1-4,6H2;2*1H
InChI Key FPQRIFDTYLBNHV-UHFFFAOYSA-N
CanonicalSyTyLFy b010f13bdf9625a0
TotalMolweight 173.086
Molecular Weight 100.164
MonoisotopicMass 100.100048
CLogP -0.304
CLogS -1.834
H Acceptors 2
H Donors 2
TotalSurfaceArea 87.52
Relative PSA 0.30542
PolarSurfaceArea 38.05
Drug-likeness -5.6012
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.71429
Molecula Flexibility 0.41187
Molecular Complexity 0.64864
Fragments 3
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 7
Symmetricatoms 2

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