Molecule

ID:63200

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄
Molecular Mass
205.16688
Exact Mass
205.03750771
Charge
0
InChI
InChI=1S/C10H7NO4/c1-15-10(14)5-2-3-6-7(4-5)11-9(13)8(6)12/h2-4H,1H3,(H,11,12,13)
InChIKey
WUSOZUAKIZDOTD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)NC(=O)C2=O
Isomeric Smiles
c1cc2C(=O)C(=O)Nc2cc1C(=O)OC
Calculated Properties
JChem
Acid pKa
8.800125
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6048138
LogD (pH = 7.4)
1.5889313
Log P
1.6050205
Molar Refractivity
52.5003
Polarizability
19.042189
Polar Surface Area
72.47
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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