Molecule

ID:12803

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₃
Molecular Mass
204.18212
Exact Mass
204.05349213
Charge
0
InChI
InChI=1S/C10H8N2O3/c1-12-9(13)7-5-3-2-4-6(7)8(11-12)10(14)15/h2-5H,1H3,(H,14,15)
InChIKey
ZUEDIBGIVDXMLP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nn(C)c(=O)c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(nn(c2=O)C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.4409454
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9145037
LogD (pH = 7.4)
-2.4953103
Log P
1.0183043
Molar Refractivity
52.6879
Polarizability
19.255299
Polar Surface Area
69.97
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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