Molecule

ID:109336

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂
Molecular Mass
196.24778
Exact Mass
196.10004839
Charge
0
InChI
InChI=1S/C13H12N2/c1-11-6-5-9-13(10-11)15-14-12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
VCCPFNMAICRKLQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)/N=N/c1ccccc1
Isomeric Smiles
Cc1cc(ccc1)/N=N/c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.892557
LogD (pH = 7.4)
4.892561
Log P
4.892561
Molar Refractivity
65.4182
Polarizability
23.363398
Polar Surface Area
24.72
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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