Molecule
ID:108682
General Information
Molecular Formula
C₂₀H₁₅N
Molecular Mass
269.3398
Exact Mass
269.12044949
Charge
0
InChI
InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
InChIKey
GYGKJNGSQQORRG-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1c([nH]c2c1cccc2)c1ccccc1
Isomeric Smiles
[nH]1c2ccccc2c(c2ccccc2)c1c1ccccc1
Calculated Properties
JChem
Acid pKa
14.931648
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
37.960384
Polar Surface Area
15.79
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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