Molecule

ID:110598

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₂N₂
Molecular Mass
280.32268
Exact Mass
280.10004839
Charge
0
InChI
InChI=1S/C20H12N2/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)21-17-11-5-6-12-18(17)22-20/h1-12H
InChIKey
KHPYJVQRBJJYSF-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)nc1c(n2)c2ccccc2c2c1cccc2
Isomeric Smiles
c1cc2c(cc1)c1nc3ccccc3nc1c1c2cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.039183
LogD (pH = 7.4)
5.039209
Log P
5.0392094
Molar Refractivity
86.057
Polarizability
39.16527
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
References
Bioactivity
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