Molecule

ID:78227

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14/h2-9,15H,14H2,1H3
InChIKey
MKWLGVQXOJRYGU-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)Nc1ccccc1N
Isomeric Smiles
N(c1ccccc1N)c1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
19.70791
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.0918972
LogD (pH = 7.4)
3.097594
Log P
3.097667
Molar Refractivity
64.2858
Polarizability
24.011847
Polar Surface Area
38.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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