Molecule

ID:108004

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀O₄
Molecular Mass
216.2741
Exact Mass
216.13615912
Charge
0
InChI
InChI=1S/C11H20O4/c1-2-15-11(14)9-7-5-3-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)
InChIKey
MTRYLAXNDGUFAK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCCCCCC(=O)O
Isomeric Smiles
CCOC(=O)CCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.4488406
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2403612
LogD (pH = 7.4)
-0.5228174
Log P
2.3270624
Molar Refractivity
56.0597
Polarizability
22.309414
Polar Surface Area
63.6
Rotatable Bonds
10
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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