Molecule

ID:136360

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O₅
Molecular Mass
230.25762
Exact Mass
230.11542368
Charge
0
InChI
InChI=1S/C11H18O5/c1-3-15-9(12)5-11(7-14-8-11)6-10(13)16-4-2/h3-8H2,1-2H3
InChIKey
NTDTTXWHMNHYOA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(COC1)CC(=O)OCC
Isomeric Smiles
CCOC(=O)CC1(COC1)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.2387172
LogD (pH = 7.4)
0.2387172
Log P
0.2387172
Molar Refractivity
56.2364
Polarizability
22.578062
Polar Surface Area
61.83
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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