Molecule

ID:24641

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,11H2,(H,14,15)
InChIKey
BFMGSMOYBHOHGI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnn(c1N)c1ccccc1
Isomeric Smiles
c1(c(cnn1c1ccccc1)C(=O)O)N
Calculated Properties
JChem
Acid pKa
4.1068363
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.20239447
LogD (pH = 7.4)
-1.4786227
Log P
1.6270123
Molar Refractivity
55.6296
Polarizability
20.881235
Polar Surface Area
81.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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