(2-Methoxycyclohexyl)hydrazine

CAS Number: 158438-46-1
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COC(CCCC1)C1NN
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C7H16N2O
Molecular Weight
144.217
Drug-likeness
-7.6588
CAS
158438-46-1
InChI key
PMAQRYZQTSYBCT-UHFFFAOYSA-N
SMILES
COC(CCCC1)C1NN
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 158438-46-1
Molecule Name (2-Methoxycyclohexyl)hydrazine
Molecular Formula C7H16N2O
SMILES COC(CCCC1)C1NN
InChI InChI=1S/C7H16N2O/c1-10-7-5-3-2-4-6(7)9-8/h6-7,9H,2-5,8H2,1H3
InChI Key PMAQRYZQTSYBCT-UHFFFAOYSA-N
CanonicalSyTyLFy 4575cbbae8099661
TotalMolweight 144.217
Molecular Weight 144.217
MonoisotopicMass 144.126263
CLogP -0.3862
CLogS -1.833
H Acceptors 3
H Donors 2
TotalSurfaceArea 122.28
Relative PSA 0.30038
PolarSurfaceArea 47.28
Drug-likeness -7.6588
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.6
Molecula Flexibility 0.45983
Molecular Complexity 0.65162
Fragments 1
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 10
StereoCon unknown chirality

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