Potassium phenyldiazen-1-olate

CAS Number: 19192-26-8
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[O-]N=Nc1ccccc1.[K+]
Molecule Information
Mutagenic: low Tumorigenic: low Irritant: low
Formula
K.C6H5N2O
Molecular Weight
121.119
Drug-likeness
-5.7424
CAS
19192-26-8
InChI key
MGMIEBMJXWVUAV-UHFFFAOYSA-M
SMILES
[O-]N=Nc1ccccc1.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
low
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 19192-26-8
Molecule Name Potassium phenyldiazen-1-olate
Molecular Formula K.C6H5N2O
SMILES [O-]N=Nc1ccccc1.[K+]
InChI InChI=1S/C6H6N2O.K/c9-8-7-6-4-2-1-3-5-6;/h1-5H,(H,7,9);/q;+1/p-1
InChI Key MGMIEBMJXWVUAV-UHFFFAOYSA-M
CanonicalSyTyLFy 61156dba059d95cf
TotalMolweight 160.217
Molecular Weight 121.119
MonoisotopicMass 121.040188
CLogP 2.5875
CLogS -2.334
H Acceptors 3
TotalSurfaceArea 103.81
Relative PSA 0.35931
PolarSurfaceArea 47.78
Drug-likeness -5.7424
Mutagenic low
Tumorigenic low
Reproductive Effective low
Irritant low
Shape Index 0.77778
Molecula Flexibility 0.34239
Molecular Complexity 0.57565
Fragments 2
Non HAtoms 9
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Symmetricatoms 2

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