(2,5-Dichlorophenyl)hydrazine monohydrochloride

CAS Number: 50709-35-8
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NNc(cc(cc1)Cl)c1Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C6H6N2Cl2.HCl
Molecular Weight
177.034
Drug-likeness
-4.245
CAS
50709-35-8
InChI key
RQZTURFFWSJCMT-UHFFFAOYSA-N
SMILES
NNc(cc(cc1)Cl)c1Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 50709-35-8
Molecule Name (2,5-Dichlorophenyl)hydrazine monohydrochloride
Molecular Formula C6H6N2Cl2.HCl
SMILES NNc(cc(cc1)Cl)c1Cl.Cl
InChI InChI=1S/C6H6Cl2N2.ClH/c7-4-1-2-5(8)6(3-4)10-9;/h1-3,10H,9H2;1H
InChI Key RQZTURFFWSJCMT-UHFFFAOYSA-N
CanonicalSyTyLFy 827982a1e56643d
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 high
Irritant none
Nasty Functions hydrazine
Shape Index 0.6
Molecula Flexibility 0.017819
Molecular Complexity 0.66644
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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