Molecule

ID:88358

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄N₂
Molecular Mass
282.33856
Exact Mass
282.11569846
Charge
0
InChI
InChI=1S/C20H14N2/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19/h1-14H
InChIKey
RSNQVABHABAKEZ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1nc2ccccc2nc1c1ccccc1
Isomeric Smiles
n1c(c(nc2ccccc12)c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.365201
LogD (pH = 7.4)
5.3652296
Log P
5.3652296
Molar Refractivity
86.9788
Polarizability
38.390423
Polar Surface Area
25.78
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation