Molecule

ID:112428

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂N₄
Molecular Mass
284.31468
Exact Mass
284.1061964
Charge
0
InChI
InChI=1S/C18H12N4/c1-2-8-14-13(7-1)21-17(15-9-3-5-11-19-15)18(22-14)16-10-4-6-12-20-16/h1-12H
InChIKey
ILLTYNYTHFEGHK-UHFFFAOYSA-N
Canonic Smiles
c1ccc(nc1)c1nc2ccccc2nc1c1ccccn1
Isomeric Smiles
c1ccc(nc1)c1nc2ccccc2nc1c1ccccn1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.7008204
LogD (pH = 7.4)
3.701576
Log P
3.7015855
Molar Refractivity
81.921
Polarizability
36.43046
Polar Surface Area
51.56
Rotatable Bonds
2
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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