(2-benzylphenyl)hydrazine

CAS Number: 129786-94-3
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NNc1c(Cc2ccccc2)cccc1
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C13H14N2
Molecular Weight
198.268
Drug-likeness
-4.5304
CAS
129786-94-3
InChI key
HWRVFQYVRDGGBP-UHFFFAOYSA-N
SMILES
NNc1c(Cc2ccccc2)cccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 129786-94-3
Molecule Name (2-benzylphenyl)hydrazine
Molecular Formula C13H14N2
SMILES NNc1c(Cc2ccccc2)cccc1
InChI InChI=1S/C13H14N2/c14-15-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,15H,10,14H2
InChI Key HWRVFQYVRDGGBP-UHFFFAOYSA-N
CanonicalSyTyLFy 91d8bb788b83af89
TotalMolweight 198.268
Molecular Weight 198.268
MonoisotopicMass 198.115698
CLogP 3.438
CLogS -3.121
H Acceptors 2
H Donors 2
TotalSurfaceArea 166.76
Relative PSA 0.16029
PolarSurfaceArea 38.05
Drug-likeness -4.5304
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.6
Molecula Flexibility 0.49948
Molecular Complexity 0.60693
Fragments 1
Non HAtoms 15
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 2
Symmetricatoms 2

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