Molecule

ID:14409

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₄
Molecular Mass
236.27188
Exact Mass
236.1061964
Charge
0
InChI
InChI=1S/C14H12N4/c15-12-6-8-13(9-7-12)18-14(10-16-17-18)11-4-2-1-3-5-11/h1-10H,15H2
InChIKey
FKXSKUWASSDIAV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)n1nncc1c1ccccc1
Isomeric Smiles
n1(c(c2ccccc2)cnn1)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.356433
LogD (pH = 7.4)
2.4156783
Log P
2.4164891
Molar Refractivity
72.4908
Polarizability
28.688976
Polar Surface Area
56.73
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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