Molecule

ID:60940

General Information
Structure
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c17-13-12(10-6-2-1-3-7-10)14(18)16-9-5-4-8-11(16)15-13/h1-9,17H
InChIKey
FILDARUBDGCDIX-UHFFFAOYSA-N
Canonic Smiles
Oc1nc2ccccn2c(=O)c1c1ccccc1
Isomeric Smiles
c1(=O)c(c(nc2n1cccc2)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.256572
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3413756
LogD (pH = 7.4)
2.2855792
Log P
2.3421357
Molar Refractivity
78.6597
Polarizability
25.493782
Polar Surface Area
52.9
Rotatable Bonds
1
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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