Molecule

ID:44114

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₄
Molecular Mass
207.18276
Exact Mass
207.05315777
Charge
0
InChI
InChI=1S/C10H9NO4/c1-14-10(13)6-2-3-8-7(4-6)11-9(12)5-15-8/h2-4H,5H2,1H3,(H,11,12)
InChIKey
WPGYGHFVLMZWHI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)NC(=O)CO2
Isomeric Smiles
N1c2cc(C(=O)OC)ccc2OCC1=O
Calculated Properties
JChem
Acid pKa
11.443948
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.75809044
LogD (pH = 7.4)
0.7580536
Log P
0.7580909
Molar Refractivity
52.8504
Polarizability
19.655548
Polar Surface Area
64.63
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
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Molecule Details
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References
Bioactivity
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