(Oxan-4-yl)hydrazine--hydrogen chloride (1/1)

CAS Number: 194543-22-1
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NNC1CCOCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C5H12N2O
Molecular Weight
116.163
Drug-likeness
-6.9425
CAS
194543-22-1
InChI key
CYCWBZMKKCTOGR-UHFFFAOYSA-N
SMILES
NNC1CCOCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 194543-22-1
Molecule Name (Oxan-4-yl)hydrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C5H12N2O
SMILES NNC1CCOCC1.Cl
InChI InChI=1S/C5H12N2O.ClH/c6-7-5-1-3-8-4-2-5;/h5,7H,1-4,6H2;1H
InChI Key CYCWBZMKKCTOGR-UHFFFAOYSA-N
CanonicalSyTyLFy d96e87cab5f789b0
TotalMolweight 152.624
Molecular Weight 116.163
MonoisotopicMass 116.094963
CLogP -1.126
CLogS -1.215
H Acceptors 3
H Donors 2
TotalSurfaceArea 97.52
Relative PSA 0.37664
PolarSurfaceArea 47.28
Drug-likeness -6.9425
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.75
Molecula Flexibility 0.42801
Molecular Complexity 0.62123
Fragments 2
Non HAtoms 8
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 2

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