(1Z,2E)-Cyano(2-methyl-2-phenylhydrazinylidene)ethanehydrazonamide

CAS Number: 74676-82-7
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CN(c1ccccc1)/N=C(/C(/N)=N/N)\C#N
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H12N6
Molecular Weight
216.247
Drug-likeness
-3.6094
CAS
74676-82-7
InChI key
BFMODYSGZDEWDB-UHFFFAOYSA-N
SMILES
CN(c1ccccc1)/N=C(/C(/N)=N/N)\C#N
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 74676-82-7
Molecule Name (1Z,2E)-Cyano(2-methyl-2-phenylhydrazinylidene)ethanehydrazonamide
Molecular Formula C10H12N6
SMILES CN(c1ccccc1)/N=C(/C(/N)=N/N)\C#N
InChI InChI=1S/C10H12N6/c1-16(8-5-3-2-4-6-8)15-9(7-11)10(12)14-13/h2-6H,13H2,1H3,(H2,12,14)
InChI Key BFMODYSGZDEWDB-UHFFFAOYSA-N
CanonicalSyTyLFy f9e6461d2ee36d3
TotalMolweight 216.247
Molecular Weight 216.247
MonoisotopicMass 216.112344
CLogP -0.1152
CLogS -2.097
H Acceptors 6
H Donors 2
TotalSurfaceArea 180.51
Relative PSA 0.3915
PolarSurfaceArea 103.79
Drug-likeness -3.6094
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant none
Shape Index 0.625
Molecula Flexibility 0.5729
Molecular Complexity 0.56985
Fragments 1
Non HAtoms 16
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Symmetricatoms 2

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