(1Z,2E)-Bis[(2-methylphenyl)methylidene]hydrazine

CAS Number: 80355-74-4
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Cc1c(/C=N/N=C\c2c(C)cccc2)cccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C16H16N2
Molecular Weight
236.317
Drug-likeness
1.5758
CAS
80355-74-4
InChI key
NCVDVHCGHMDCSY-UHFFFAOYSA-N
SMILES
Cc1c(/C=N/N=C\c2c(C)cccc2)cccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 80355-74-4
Molecule Name (1Z,2E)-Bis[(2-methylphenyl)methylidene]hydrazine
Molecular Formula C16H16N2
SMILES Cc1c(/C=N/N=C\c2c(C)cccc2)cccc1
InChI InChI=1S/C16H16N2/c1-13-7-3-5-9-15(13)11-17-18-12-16-10-6-4-8-14(16)2/h3-12H,1-2H3
InChI Key NCVDVHCGHMDCSY-UHFFFAOYSA-N
CanonicalSyTyLFy dd621a7c91c61e8b
TotalMolweight 236.317
Molecular Weight 236.317
MonoisotopicMass 236.131348
CLogP 5.4734
CLogS -4.82
H Acceptors 2
TotalSurfaceArea 207.06
Relative PSA 0.11118
PolarSurfaceArea 24.72
Drug-likeness 1.5758
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions dimethylene-hydrazine; imine/hyd
Shape Index 0.66667
Molecula Flexibility 0.29788
Molecular Complexity 0.57758
Fragments 1
Non HAtoms 18
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 2

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