Molecule

ID:11314

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₅
Molecular Mass
293.31506
Exact Mass
293.12632271
Charge
0
InChI
InChI=1S/C15H19NO5/c1-9(2)7-11(15(18)19)16-14(17)10-3-4-12-13(8-10)21-6-5-20-12/h3-4,8-9,11H,5-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
XSPIHQNCDQGFKY-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(=O)O)NC(=O)c1ccc2c(c1)OCCO2)C
Isomeric Smiles
C(=O)(c1cc2c(OCCO2)cc1)NC(C(=O)O)CC(C)C
Calculated Properties
JChem
Acid pKa
3.3072462
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.31445736
LogD (pH = 7.4)
-1.5630112
Log P
1.8615524
Molar Refractivity
75.2426
Polarizability
29.104498
Polar Surface Area
84.86
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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