Molecule

ID:136820

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₁NO₄S
Molecular Mass
309.46524
Exact Mass
309.19737948
Charge
0
InChI
InChI=1S/C14H31NO4S/c1-4-5-6-7-8-9-10-12-15(2,3)13-11-14-19-20(16,17)18/h4-14H2,1-3H3
InChIKey
UPEPSGLEIWWSAF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC[N+](CCCOS(=O)(=O)[O-])(C)C
Isomeric Smiles
CCCCCCCCC[N+](C)(C)CCCOS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-1.6286379
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0230199
LogD (pH = 7.4)
1.0230199
Log P
-1.0005813
Molar Refractivity
92.8081
Polarizability
33.19774
Polar Surface Area
66.43
Rotatable Bonds
13
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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