Molecule

ID:101128

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c1-14-9-11-7-8-13(15-10-11)12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3
InChIKey
OLZSHISXLYLLBI-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(nc1)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)ccc(c1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7712055
LogD (pH = 7.4)
0.5349394
Log P
2.346998
Molar Refractivity
61.9133
Polarizability
25.733067
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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