Molecule

ID:42045

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃NO₅
Molecular Mass
311.28882
Exact Mass
311.07937252
Charge
0
InChI
InChI=1S/C17H13NO5/c1-22-17(21)12-8-6-11(7-9-12)10-23-18-15(19)13-4-2-3-5-14(13)16(18)20/h2-9H,10H2,1H3
InChIKey
WDWPUOCISOEHHR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)CON1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)OCc1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.796152
LogD (pH = 7.4)
2.796152
Log P
2.796152
Molar Refractivity
82.1996
Polarizability
30.719961
Polar Surface Area
72.91
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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