Molecule

ID:74001

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₆
Molecular Mass
282.28912
Exact Mass
282.1103383
Charge
0
InChI
InChI=1S/C14H18O6/c1-3-19-11(17)13-5-6-14(8-9(13)15,10(16)7-13)12(18)20-4-2/h3-8H2,1-2H3
InChIKey
ZRMZQKZRZQCGJV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C12CCC(C(=O)C1)(CC2=O)C(=O)OCC
Isomeric Smiles
O=C1CC2(C(=O)OCC)C(=O)CC1(CC2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.292091
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.432041
LogD (pH = 7.4)
1.4320405
Log P
1.432041
Molar Refractivity
67.7074
Polarizability
26.87828
Polar Surface Area
86.74
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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