Molecule

ID:89183

General Information
Structure
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Molecular Formula
C₁₆H₃₇NO₄S
Molecular Mass
339.53428
Exact Mass
339.24432967
Charge
0
InChI
InChI=1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChIKey
SHFJWMWCIHQNCP-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)(=O)O.CCCC[N+](CCCC)(CCCC)CCCC
Isomeric Smiles
[N+](CCCC)(CCCC)(CCCC)CCCC.S(=O)(=O)(O)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.3234289
LogD (pH = 7.4)
1.3234289
Log P
1.3234289
Molar Refractivity
91.3961
Polarizability
31.734425
Polar Surface Area
0.0
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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