Molecule

ID:2143

General Information
Structure
Molecular Formula
C₁₄H₃₀O₇S
Molecular Mass
342.4488
Exact Mass
342.1712243
Charge
0
InChI
InChI=1S/C14H30O7S/c15-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22/h15,22H,1-14H2
InChIKey
ACMBXVJDKVNCGH-UHFFFAOYSA-N
Canonic Smiles
OCCOCCOCCOCCOCCOCCOCCS
Isomeric Smiles
SCCOCCOCCOCCOCCOCCOCCO
Calculated Properties
JChem
Acid pKa
9.967227
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
-0.39508393
LogD (pH = 7.4)
-0.39616036
Log P
-0.3950702
Molar Refractivity
86.9972
Polarizability
34.452465
Polar Surface Area
75.61
Rotatable Bonds
19
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.18
LOG S
-3.3
Solubility (Water)
1.72e-01 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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