(10,10-Dimethylanthracen-9(10H)-ylidene)hydrazine

CAS Number: 90624-29-6
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CC(C)(c1c2cccc1)c(cccc1)c1C2=NN
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C16H16N2
Molecular Weight
236.317
Drug-likeness
-4.4339
CAS
90624-29-6
InChI key
XXQIUBGDROIDDE-UHFFFAOYSA-N
SMILES
CC(C)(c1c2cccc1)c(cccc1)c1C2=NN
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 90624-29-6
Molecule Name (10,10-Dimethylanthracen-9(10H)-ylidene)hydrazine
Molecular Formula C16H16N2
SMILES CC(C)(c1c2cccc1)c(cccc1)c1C2=NN
InChI InChI=1S/C16H16N2/c1-16(2)13-9-5-3-7-11(13)15(18-17)12-8-4-6-10-14(12)16/h3-10H,17H2,1-2H3
InChI Key XXQIUBGDROIDDE-UHFFFAOYSA-N
CanonicalSyTyLFy 22bfa124dc773530
TotalMolweight 236.317
Molecular Weight 236.317
MonoisotopicMass 236.131348
CLogP 3.8821
CLogS -4.356
H Acceptors 2
H Donors 1
TotalSurfaceArea 185.94
Relative PSA 0.14402
PolarSurfaceArea 38.38
Drug-likeness -4.4339
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.44444
Molecula Flexibility 0.11253
Molecular Complexity 0.85231
Fragments 1
Non HAtoms 18
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 4
Symmetricatoms 7

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