Molecule

ID:73578

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₅N
Molecular Mass
269.3398
Exact Mass
269.12044949
Charge
0
InChI
InChI=1S/C20H15N/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)20-14-18-8-4-5-9-19(18)21-20/h1-14,21H
InChIKey
IZQXDFSSLHWRBK-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)c1cc2c([nH]1)cccc2
Isomeric Smiles
[nH]1c(cc2ccccc12)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.093653
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
5.2864594
LogD (pH = 7.4)
5.2864594
Log P
5.2864594
Molar Refractivity
87.2944
Polarizability
37.95339
Polar Surface Area
15.79
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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