Cyclohexanecarbohydrazide

CAS Number: 38941-47-8
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NNC(C1CCCCC1)=O
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C7H14N2O
Molecular Weight
142.201
Drug-likeness
-9.3533
CAS
38941-47-8
InChI key
HUYREUUJFLHEDE-UHFFFAOYSA-N
SMILES
NNC(C1CCCCC1)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 38941-47-8
Molecule Name Cyclohexanecarbohydrazide
Molecular Formula C7H14N2O
SMILES NNC(C1CCCCC1)=O
InChI InChI=1S/C7H14N2O/c8-9-7(10)6-4-2-1-3-5-6/h6H,1-5,8H2,(H,9,10)
InChI Key HUYREUUJFLHEDE-UHFFFAOYSA-N
CanonicalSyTyLFy 2c09d1f395e64d98
TotalMolweight 142.201
Molecular Weight 142.201
MonoisotopicMass 142.110613
CLogP -0.1169
CLogS -2.138
H Acceptors 3
H Donors 2
TotalSurfaceArea 119.03
Relative PSA 0.33412
PolarSurfaceArea 55.12
Drug-likeness -9.3533
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.7
Molecula Flexibility 0.31785
Molecular Complexity 0.55452
Fragments 1
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 7
Symmetricatoms 2

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