Molecule

ID:18936

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c14-10(15)9-7-13(12-11-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)
InChIKey
MIGIDQCWBSDLTO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nnn(c1)Cc1ccccc1
Isomeric Smiles
c1(nnn(c1)Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0239549
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.65274274
LogD (pH = 7.4)
-1.6835672
Log P
1.7881364
Molar Refractivity
64.8152
Polarizability
19.992298
Polar Surface Area
68.01
Rotatable Bonds
3
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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