Molecule

ID:62525

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₄
Molecular Mass
225.2411
Exact Mass
225.10010797
Charge
0
InChI
InChI=1S/C11H15NO4/c1-7-10(8(2)16-12-7)5-4-9(13)6-11(14)15-3/h4-6H2,1-3H3
InChIKey
RXLHEAXGEVPFMF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)CCc1c(C)noc1C
Isomeric Smiles
c1(c(onc1C)C)CCC(=O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
10.575708
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3520634
LogD (pH = 7.4)
1.3518308
Log P
1.1187876
Molar Refractivity
57.8141
Polarizability
21.813879
Polar Surface Area
69.4
Rotatable Bonds
6
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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