m-Tolylhydrazinium(1+) chloride

CAS Number: 637-04-7
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Cc1cccc(NN)c1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C7H10N2
Molecular Weight
122.17
Drug-likeness
-4.51
CAS
637-04-7
InChI key
SHTBTGXNVWYODU-UHFFFAOYSA-N
SMILES
Cc1cccc(NN)c1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 637-04-7
Molecule Name m-Tolylhydrazinium(1+) chloride
Molecular Formula HCl.C7H10N2
SMILES Cc1cccc(NN)c1.Cl
InChI InChI=1S/C7H10N2.ClH/c1-6-3-2-4-7(5-6)9-8;/h2-5,9H,8H2,1H3;1H
InChI Key SHTBTGXNVWYODU-UHFFFAOYSA-N
CanonicalSyTyLFy e4ab651276532692
TotalMolweight 158.631
Molecular Weight 122.17
MonoisotopicMass 122.084398
CLogP 1.966
CLogS -1.754
H Acceptors 2
H Donors 2
TotalSurfaceArea 105.5
Relative PSA 0.25336
PolarSurfaceArea 38.05
Drug-likeness -4.51
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.66667
Molecula Flexibility 0.29482
Molecular Complexity 0.65976
Fragments 2
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 2

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