Molecule

ID:78126

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N
Molecular Mass
207.27042
Exact Mass
207.10479942
Charge
0
InChI
InChI=1S/C15H13N/c1-11-7-8-14-13(9-11)10-15(16-14)12-5-3-2-4-6-12/h2-10,16H,1H3
InChIKey
JPFTUUXPCFNLIX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)cc([nH]2)c1ccccc1
Isomeric Smiles
[nH]1c2ccc(cc2cc1c1ccccc1)C
Calculated Properties
JChem
Acid pKa
15.35649
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
4.1526556
LogD (pH = 7.4)
4.1526556
Log P
4.1526556
Molar Refractivity
67.1994
Polarizability
28.554785
Polar Surface Area
15.79
Rotatable Bonds
1
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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