(2,2-Dimethyl-1-phenylpropylidene)hydrazine

CAS Number: 79289-77-3
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CC(C)(C)C(c1ccccc1)=NN
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H16N2
Molecular Weight
176.262
Drug-likeness
-5.7734
CAS
79289-77-3
InChI key
DGIBLDZAGWNFQU-UHFFFAOYSA-N
SMILES
CC(C)(C)C(c1ccccc1)=NN
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 79289-77-3
Molecule Name (2,2-Dimethyl-1-phenylpropylidene)hydrazine
Molecular Formula C11H16N2
SMILES CC(C)(C)C(c1ccccc1)=NN
InChI InChI=1S/C11H16N2/c1-11(2,3)10(13-12)9-7-5-4-6-8-9/h4-8H,12H2,1-3H3
InChI Key DGIBLDZAGWNFQU-UHFFFAOYSA-N
CanonicalSyTyLFy a9435a1ffb9ba37b
TotalMolweight 176.262
Molecular Weight 176.262
MonoisotopicMass 176.131348
CLogP 2.7432
CLogS -3.36
H Acceptors 2
H Donors 1
TotalSurfaceArea 151.94
Relative PSA 0.17625
PolarSurfaceArea 38.38
Drug-likeness -5.7734
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.53846
Molecula Flexibility 0.57786
Molecular Complexity 0.55537
Fragments 1
Non HAtoms 13
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5
Symmetricatoms 4

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