Molecule

ID:3206

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₈O₁₀
Molecular Mass
414.48832
Exact Mass
414.24649742
Charge
0
InChI
InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2
InChIKey
YZUUTMGDONTGTN-UHFFFAOYSA-N
Canonic Smiles
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
Isomeric Smiles
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
Calculated Properties
JChem
LogD (pH = 7.4)
-1.58
LogD (pH = 5.5)
-1.58
Log P
-1.58
Rotatable Bonds
25
H Donor
2
H Acceptors
10
Lipinski's Rule of Five
true
Acid pKa
14.82
Polar Surface Area
114.30
Polarizability
48.85
Molar Refractivity
102.90
LOG S
0.78
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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