Molecule

ID:104146

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂N₂
Molecular Mass
256.30128
Exact Mass
256.10004839
Charge
0
InChI
InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H
InChIKey
WPTCSQBWLUUYDV-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)nc(cc2)c1ccc2c(n1)cccc2
Isomeric Smiles
c1cc2ccc(nc2cc1)c1ccc2ccccc2n1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7068176
LogD (pH = 7.4)
4.707473
Log P
4.707481
Molar Refractivity
78.2928
Polarizability
34.922874
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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