Molecule

ID:59280

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₄O₂
Molecular Mass
254.2441
Exact Mass
254.08037558
Charge
0
InChI
InChI=1S/C13H10N4O2/c18-12(9-4-2-1-3-5-9)16-10-8-14-11-6-7-15-17(11)13(10)19/h1-8,15H,(H,16,18)
InChIKey
OYCHDJNIXIWJLF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)Nc1cnc2n(c1=O)[nH]cc2
Isomeric Smiles
[nH]1ccc2n1c(=O)c(cn2)NC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
7.2804985
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.49667895
LogD (pH = 7.4)
0.17134005
Log P
0.50339067
Molar Refractivity
80.2646
Polarizability
25.373064
Polar Surface Area
73.8
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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