Cycloheptylhydrazine--hydrogen chloride (1/1)

CAS Number: 79201-43-7
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NNC1CCCCCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C7H16N2
Molecular Weight
128.218
Drug-likeness
-7.985
CAS
79201-43-7
InChI key
IKKKEDGXOWBLHT-UHFFFAOYSA-N
SMILES
NNC1CCCCCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 79201-43-7
Molecule Name Cycloheptylhydrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C7H16N2
SMILES NNC1CCCCCC1.Cl
InChI InChI=1S/C7H16N2.ClH/c8-9-7-5-3-1-2-4-6-7;/h7,9H,1-6,8H2;1H
InChI Key IKKKEDGXOWBLHT-UHFFFAOYSA-N
CanonicalSyTyLFy c0286c6cce3a57c
TotalMolweight 164.679
Molecular Weight 128.218
MonoisotopicMass 128.131348
CLogP 0.38
CLogS -2.374
H Acceptors 2
H Donors 2
TotalSurfaceArea 115.04
Relative PSA 0.23235
PolarSurfaceArea 38.05
Drug-likeness -7.985
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.66667
Molecula Flexibility 0.39222
Molecular Complexity 0.57565
Fragments 2
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 9
Symmetricatoms 3

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