Molecule

ID:71696

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₅
Molecular Mass
263.24602
Exact Mass
263.07937252
Charge
0
InChI
InChI=1S/C13H13NO5/c15-12-4-9(13(16)17)6-14(12)5-8-1-2-10-11(3-8)19-7-18-10/h1-3,9H,4-7H2,(H,16,17)
InChIKey
QPPHUXXOFJHSIQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)Cc1ccc2c(c1)OCO2
Isomeric Smiles
N1(CC(CC1=O)C(=O)O)Cc1ccc2c(c1)OCO2
Calculated Properties
JChem
Acid pKa
3.5562959
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.5670685
LogD (pH = 7.4)
-2.9873717
Log P
0.3704253
Molar Refractivity
63.62
Polarizability
24.944693
Polar Surface Area
76.07
Rotatable Bonds
3
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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