Molecule

ID:10201

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₆
Molecular Mass
282.28912
Exact Mass
282.1103383
Charge
0
InChI
InChI=1S/C14H18O6/c1-5-20-13(16)8-10(15)9-6-11(17-2)14(19-4)12(7-9)18-3/h6-7H,5,8H2,1-4H3
InChIKey
VEYNISLTHXQSGU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)c1cc(OC)c(c(c1)OC)OC
Isomeric Smiles
c1c(c(c(cc1C(=O)CC(=O)OCC)OC)OC)OC
Calculated Properties
JChem
Acid pKa
10.264864
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.4528025
LogD (pH = 7.4)
1.4522179
Log P
1.45281
Molar Refractivity
71.7122
Polarizability
27.982954
Polar Surface Area
71.06
Rotatable Bonds
8
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
References
Bioactivity
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