Molecule

ID:5873

General Information
Structure
Molecular Formula
C₁₈H₃₈O₆
Molecular Mass
350.49072
Exact Mass
350.26683894
Charge
0
InChI
InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3
InChIKey
MJELOWOAIAAUJT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOCCOCCOCCOCCOCCO
Isomeric Smiles
CCCCCCCCOCCOCCOCCOCCOCCO
Calculated Properties
JChem
Acid pKa
15.121156
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
2.3487191
LogD (pH = 7.4)
2.3487191
Log P
2.3487191
Molar Refractivity
95.7564
Polarizability
37.989067
Polar Surface Area
66.38
Rotatable Bonds
21
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.43
LOG S
-4.61
Solubility (Water)
8.58e-03 g/l
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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