Molecule

ID:11256

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₄
Molecular Mass
253.29426
Exact Mass
253.13140809
Charge
0
InChI
InChI=1S/C13H19NO4/c1-5-7(2)11(13(16)17)14-12(15)10-6-8(3)18-9(10)4/h6-7,11H,5H2,1-4H3,(H,14,15)(H,16,17)
InChIKey
FLARWHPLHFLFMD-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(=O)O)NC(=O)c1cc(oc1C)C)C
Isomeric Smiles
c1(C(=O)NC(C(=O)O)C(CC)C)c(oc(c1)C)C
Calculated Properties
JChem
Acid pKa
4.1441135
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.59402394
LogD (pH = 7.4)
-1.1049541
Log P
1.9657418
Molar Refractivity
67.021
Polarizability
25.196377
Polar Surface Area
79.54
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
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Molecule Details
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References
Bioactivity
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