Molecule

ID:60271

General Information
Structure
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c11-13-10(15)7-5-9(14)12-8-4-2-1-3-6(7)8/h1-5H,11H2,(H,12,14)(H,13,15)
InChIKey
UWVVABCGQLHBQY-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(O)nc2c1cccc2
Isomeric Smiles
c1(C(=O)NN)c2c(nc(c1)O)cccc2
Calculated Properties
JChem
Acid pKa
10.779308
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.9751979
LogD (pH = 7.4)
0.9757687
Log P
0.9759573
Molar Refractivity
55.8362
Polarizability
21.807583
Polar Surface Area
88.24
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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