Molecule

ID:13881

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₅
Molecular Mass
281.30436
Exact Mass
281.12632271
Charge
0
InChI
InChI=1S/C14H19NO5/c1-9(2)8-20-12-6-4-3-5-10(12)13(17)15-11(7-16)14(18)19/h3-6,9,11,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKey
ANAOXQPNAIEGRU-UHFFFAOYSA-N
Canonic Smiles
OCC(C(=O)O)NC(=O)c1ccccc1OCC(C)C
Isomeric Smiles
c1(c(cccc1)OCC(C)C)C(=O)NC(C(=O)O)CO
Calculated Properties
JChem
Acid pKa
3.2299163
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.1151212
LogD (pH = 7.4)
-2.3059993
Log P
1.1340317
Molar Refractivity
72.3627
Polarizability
27.935907
Polar Surface Area
95.86
Rotatable Bonds
7
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
No Data Available
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Molecule Details
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References
Bioactivity
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