(1R,2R)-2-Hydrazinylcyclooctan-1-ol

CAS Number: 62344-70-1
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NN[C@H](CCCCCC1)[C@@H]1O
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C8H18N2O
Molecular Weight
158.244
Drug-likeness
-7.2742
CAS
62344-70-1
InChI key
VBAUCDBABTUNNR-HTQZYQBOSA-N
SMILES
NN[C@H](CCCCCC1)[C@@H]1O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62344-70-1
Molecule Name (1R,2R)-2-Hydrazinylcyclooctan-1-ol
Molecular Formula C8H18N2O
SMILES NN[C@H](CCCCCC1)[C@@H]1O
InChI InChI=1S/C8H18N2O/c9-10-7-5-3-1-2-4-6-8(7)11/h7-8,10-11H,1-6,9H2/t7-,8-/m1/s1
InChI Key VBAUCDBABTUNNR-HTQZYQBOSA-N
CanonicalSyTyLFy c32d251e0d7a0bd0
TotalMolweight 158.244
Molecular Weight 158.244
MonoisotopicMass 158.141913
CLogP 0.4297
CLogS -2.245
H Acceptors 3
H Donors 3
TotalSurfaceArea 133.89
Relative PSA 0.29748
PolarSurfaceArea 58.28
Drug-likeness -7.2742
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.63636
Molecula Flexibility 0.40444
Molecular Complexity 0.65162
Fragments 1
Non HAtoms 11
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 2
Rotatable Bond 1
Rings Closures 1
Sp3Atoms 11
StereoCon this enantiomer

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