(2-Chlorophenyl)hydrazine--hydrogen chloride (1/1)

CAS Number: 41052-75-9
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NNc(cccc1)c1Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C6H7N2Cl.HCl
Molecular Weight
142.589
Drug-likeness
-4.245
CAS
41052-75-9
InChI key
ADODRSVGNHNKAT-UHFFFAOYSA-N
SMILES
NNc(cccc1)c1Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 41052-75-9
Molecule Name (2-Chlorophenyl)hydrazine--hydrogen chloride (1/1)
Molecular Formula C6H7N2Cl.HCl
SMILES NNc(cccc1)c1Cl.Cl
InChI InChI=1S/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H
InChI Key ADODRSVGNHNKAT-UHFFFAOYSA-N
CanonicalSyTyLFy b2c47444cab5a02
TotalMolweight 179.05
Molecular Weight 142.589
MonoisotopicMass 142.029775
CLogP 2.2281
CLogS -2.146
H Acceptors 2
H Donors 2
TotalSurfaceArea 108.66
Relative PSA 0.246
PolarSurfaceArea 38.05
Drug-likeness -4.245
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.66667
Molecula Flexibility 0.019347
Molecular Complexity 0.7083
Fragments 2
Non HAtoms 9
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1

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