Molecule

ID:73640

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉N₃O₂
Molecular Mass
239.22946
Exact Mass
239.06947654
Charge
0
InChI
InChI=1S/C13H9N3O2/c17-13(18)9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-7H,(H,15,16)(H,17,18)
InChIKey
TYFICRRCLJYFJU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)[nH]c(n2)c1ccncc1
Isomeric Smiles
n1c(c2ccncc2)[nH]c2cc(ccc12)C(=O)O
Calculated Properties
JChem
Acid pKa
2.0108263
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.019506864
LogD (pH = 7.4)
-1.4375036
Log P
0.2911305
Molar Refractivity
75.1694
Polarizability
26.3425
Polar Surface Area
78.87
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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