Molecule

ID:76034

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₃
Molecular Mass
204.18212
Exact Mass
204.05349213
Charge
0
InChI
InChI=1S/C10H8N2O3/c1-6-11-9(15-12-6)7-3-2-4-8(5-7)10(13)14/h2-5H,1H3,(H,13,14)
InChIKey
QDXOPMMHYKGSJG-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(n1)c1cccc(c1)C(=O)O
Isomeric Smiles
OC(=O)c1cc(ccc1)c1nc(no1)C
Calculated Properties
JChem
Acid pKa
3.889583
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.31264558
LogD (pH = 7.4)
-1.3188536
Log P
1.9290822
Molar Refractivity
63.6563
Polarizability
19.849983
Polar Surface Area
76.22
Rotatable Bonds
2
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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