(2,4-Dichlorophenyl)hydrazine monohydrochloride

CAS Number: 5446-18-4
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NNc(ccc(Cl)c1)c1Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C6H6N2Cl2.HCl
Molecular Weight
177.034
Drug-likeness
-4.245
CAS
5446-18-4
InChI key
DDWYGJVFURAIJZ-UHFFFAOYSA-N
SMILES
NNc(ccc(Cl)c1)c1Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 5446-18-4
Molecule Name (2,4-Dichlorophenyl)hydrazine monohydrochloride
Molecular Formula C6H6N2Cl2.HCl
SMILES NNc(ccc(Cl)c1)c1Cl.Cl
InChI InChI=1S/C6H6Cl2N2.ClH/c7-4-1-2-6(10-9)5(8)3-4;/h1-3,10H,9H2;1H
InChI Key DDWYGJVFURAIJZ-UHFFFAOYSA-N
CanonicalSyTyLFy 77e22dee0a8644a0
TotalMolweight 213.495
Molecular Weight 177.034
MonoisotopicMass 175.990802
CLogP 2.8341
CLogS -2.882
H Acceptors 2
H Donors 2
TotalSurfaceArea 124.08
Relative PSA 0.21543
PolarSurfaceArea 38.05
Drug-likeness -4.245
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.7
Molecula Flexibility 0.017819
Molecular Complexity 0.67346
Fragments 2
Non HAtoms 10
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1

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