Molecule

ID:57633

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c1-7-8(10(14)15)6-12-13(7)9-4-2-3-5-11-9/h2-6H,1H3,(H,14,15)
InChIKey
CQEIZYGGTNLXOM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnn(c1C)c1ccccn1
Isomeric Smiles
n1cc(c(n1c1ncccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.260285
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.95080465
LogD (pH = 7.4)
-2.1459494
Log P
1.1501979
Molar Refractivity
54.9822
Polarizability
19.975628
Polar Surface Area
68.01
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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