Molecule

ID:58404

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₄
Molecular Mass
233.22004
Exact Mass
233.06880784
Charge
0
InChI
InChI=1S/C12H11NO4/c1-2-17-10(14)7-13-11(15)8-5-3-4-6-9(8)12(13)16/h3-6H,2,7H2,1H3
InChIKey
NYNCZOLNVTXTTP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1ccc2c(c1)C(=O)N(C2=O)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8977844
LogD (pH = 7.4)
0.8977844
Log P
0.8977844
Molar Refractivity
59.8138
Polarizability
22.341047
Polar Surface Area
63.68
Rotatable Bonds
4
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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