Molecule

ID:13486

General Information
Structure
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c1-11(12-7-9-14-10-8-12)15-13-5-3-2-4-6-13/h2-11,15H,1H3
InChIKey
GKIQEMNPCOCAJX-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccncc1)Nc1ccccc1
Isomeric Smiles
c1ccc(cc1)NC(c1ccncc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2524257
LogD (pH = 7.4)
2.3676858
Log P
2.3693995
Molar Refractivity
63.1263
Polarizability
23.883947
Polar Surface Area
24.92
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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