1-(Naphthalen-2-yl)-1-phenylhydrazine--hydrogen chloride (1/1)

CAS Number: 6341-44-2
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NN(c1ccccc1)c1cc2ccccc2cc1.Cl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: low
Formula
HCl.C16H14N2
Molecular Weight
234.301
Drug-likeness
-2.11
CAS
6341-44-2
InChI key
HLSKHYAQDZGARW-UHFFFAOYSA-N
SMILES
NN(c1ccccc1)c1cc2ccccc2cc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 6341-44-2
Molecule Name 1-(Naphthalen-2-yl)-1-phenylhydrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C16H14N2
SMILES NN(c1ccccc1)c1cc2ccccc2cc1.Cl
InChI InChI=1S/C16H14N2.ClH/c17-18(15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16;/h1-12H,17H2;1H
InChI Key HLSKHYAQDZGARW-UHFFFAOYSA-N
CanonicalSyTyLFy db3528cd90db0546
TotalMolweight 270.762
Molecular Weight 234.301
MonoisotopicMass 234.115698
CLogP 3.2044
CLogS -5.593
H Acceptors 2
H Donors 1
TotalSurfaceArea 186.44
Relative PSA 0.10094
PolarSurfaceArea 29.26
Drug-likeness -2.11
Mutagenic low
Tumorigenic high
Reproductive Effective none
Irritant low
Shape Index 0.61111
Molecula Flexibility 0.44863
Molecular Complexity 0.63297
Fragments 2
Non HAtoms 18
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 16
Sp3Atoms 1
Symmetricatoms 2

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