Molecule

ID:16735

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c1-10-4-2-3-5-12(10)13(14)11-6-8-15-9-7-11/h2-9,13H,14H2,1H3
InChIKey
ODUGKKIZGXGYDM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1C(c1ccncc1)N
Isomeric Smiles
c1(C(c2ccncc2)N)c(cccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.683672
LogD (pH = 7.4)
0.7292065
Log P
2.1790035
Molar Refractivity
61.6985
Polarizability
24.202457
Polar Surface Area
38.91
Rotatable Bonds
2
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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