Molecule

ID:10193

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO₄
Molecular Mass
193.15618
Exact Mass
193.03750771
Charge
0
InChI
InChI=1S/C9H7NO4/c11-4-6(5-12)7-2-1-3-8(10-7)9(13)14/h1-6H,(H,13,14)
InChIKey
WVLIQUPRRVSTGK-UHFFFAOYSA-N
Canonic Smiles
O=CC(c1cccc(n1)C(=O)O)C=O
Isomeric Smiles
c1c(nc(cc1)C(=O)O)C(C=O)C=O
Calculated Properties
JChem
Acid pKa
-7.8427024
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-5.1265907
LogD (pH = 7.4)
-5.1266336
Log P
-4.8866253
Molar Refractivity
46.1618
Polarizability
17.55198
Polar Surface Area
84.33
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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