N'-Methylbenzohydrazide--hydrogen chloride (1/1)

CAS Number: 1483-23-4
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CNNC(c1ccccc1)=O.Cl
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: none
Formula
HCl.C8H10N2O
Molecular Weight
150.18
Drug-likeness
2.0084
CAS
1483-23-4
InChI key
ORWMNUDDHHERFH-UHFFFAOYSA-N
SMILES
CNNC(c1ccccc1)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 1483-23-4
Molecule Name N'-Methylbenzohydrazide--hydrogen chloride (1/1)
Molecular Formula HCl.C8H10N2O
SMILES CNNC(c1ccccc1)=O.Cl
InChI InChI=1S/C8H10N2O.ClH/c1-9-10-8(11)7-5-3-2-4-6-7;/h2-6,9H,1H3,(H,10,11);1H
InChI Key ORWMNUDDHHERFH-UHFFFAOYSA-N
CanonicalSyTyLFy 28e0cc39cca07e9f
TotalMolweight 186.641
Molecular Weight 150.18
MonoisotopicMass 150.079313
CLogP 0.1171
CLogS -1.858
H Acceptors 3
H Donors 2
TotalSurfaceArea 126.19
Relative PSA 0.28497
PolarSurfaceArea 41.13
Drug-likeness 2.0084
Mutagenic high
Tumorigenic low
Reproductive Effective low
Irritant none
Shape Index 0.72727
Molecula Flexibility 0.55224
Molecular Complexity 0.57807
Fragments 2
Non HAtoms 11
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 2
Symmetricatoms 2

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