2-Methyl phenylhydrazine hydrochloride

CAS Number: 92304-54-6
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CNNc1ccccc1.Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
HCl.C7H10N2
Molecular Weight
122.17
Drug-likeness
0.6715
CAS
92304-54-6
InChI key
QBHDPTUISCWOPO-UHFFFAOYSA-N
SMILES
CNNc1ccccc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 92304-54-6
Molecule Name 2-Methyl phenylhydrazine hydrochloride
Molecular Formula HCl.C7H10N2
SMILES CNNc1ccccc1.Cl
InChI InChI=1S/C7H10N2.ClH/c1-8-9-7-5-3-2-4-6-7;/h2-6,8-9H,1H3;1H
InChI Key QBHDPTUISCWOPO-UHFFFAOYSA-N
CanonicalSyTyLFy 94066bb507ac1e0b
TotalMolweight 158.631
Molecular Weight 122.17
MonoisotopicMass 122.084398
CLogP 1.7564
CLogS -1.286
H Acceptors 2
H Donors 2
TotalSurfaceArea 108.44
Relative PSA 0.21136
PolarSurfaceArea 24.06
Drug-likeness 0.6715
Mutagenic high
Tumorigenic high
Reproductive Effective low
Irritant none
Shape Index 0.77778
Molecula Flexibility 0.47531
Molecular Complexity 0.57565
Fragments 2
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 2
Symmetricatoms 2

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