Molecule

ID:120881

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,11H2,(H,14,15)
InChIKey
WUUZVOIWQPVTIO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)n1ncc(c1)C(=O)O
Isomeric Smiles
c1(cn(nc1)c1ccc(N)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9839249
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.9730728
LogD (pH = 7.4)
-2.402638
Log P
-0.40093106
Molar Refractivity
56.3763
Polarizability
20.880672
Polar Surface Area
81.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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