Molecule

ID:11439

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₅
Molecular Mass
263.24602
Exact Mass
263.07937252
Charge
0
InChI
InChI=1S/C13H13NO5/c1-7-5-10(8(2)18-7)12(15)14-6-9-3-4-11(19-9)13(16)17/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKey
MVVWJWOQKNJJFW-UHFFFAOYSA-N
Canonic Smiles
Cc1oc(c(c1)C(=O)NCc1ccc(o1)C(=O)O)C
Isomeric Smiles
c1cc(oc1CNC(=O)c1c(oc(c1)C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1142468
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.4081907
LogD (pH = 7.4)
-2.5101194
Log P
0.9492341
Molar Refractivity
66.9831
Polarizability
24.35138
Polar Surface Area
92.68
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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