Molecule

ID:1807

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄O₆
Molecular Mass
252.30466
Exact Mass
252.15728849
Charge
0
InChI
InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3
InChIKey
SLNYBUIEAMRFSZ-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOCCOCCOCCO
Isomeric Smiles
COCCOCCOCCOCCOCCO
Calculated Properties
JChem
Acid pKa
15.121156
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.7534546
LogD (pH = 7.4)
-0.7534546
Log P
-0.7534546
Molar Refractivity
63.4788
Polarizability
25.173359
Polar Surface Area
66.38
Rotatable Bonds
14
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.42
LOG S
-1.78
Solubility (Water)
4.22e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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