Molecule

ID:13303

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₅
Molecular Mass
293.31506
Exact Mass
293.12632271
Charge
0
InChI
InChI=1S/C15H19NO5/c1-20-12-4-3-11(9-13(12)21-2)14(17)16-7-5-10(6-8-16)15(18)19/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)
InChIKey
GAKOEWXKEAHTES-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)C(=O)N1CCC(CC1)C(=O)O
Isomeric Smiles
C1N(CCC(C1)C(=O)O)C(=O)c1cc(c(cc1)OC)OC
Calculated Properties
JChem
Acid pKa
3.6303976
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.83711076
LogD (pH = 7.4)
-2.3032172
Log P
1.0290064
Molar Refractivity
76.2381
Polarizability
29.1049
Polar Surface Area
76.07
Rotatable Bonds
4
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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