Molecule

ID:11124

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO₄
Molecular Mass
313.34776
Exact Mass
313.13140809
Charge
0
InChI
InChI=1S/C18H19NO4/c1-3-22-17-10-14(11-20)8-9-16(17)23-12-18(21)19-15-7-5-4-6-13(15)2/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKey
OOFYVYMGVARZGK-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1C
Isomeric Smiles
c1ccc(c(c1)NC(=O)COc1c(cc(cc1)C=O)OCC)C
Calculated Properties
JChem
Acid pKa
12.617754
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.1529202
LogD (pH = 7.4)
3.1529176
Log P
3.1529202
Molar Refractivity
89.7201
Polarizability
33.50038
Polar Surface Area
64.63
Rotatable Bonds
7
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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