Molecule

ID:134459

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₉NO₄S
Molecular Mass
353.56086
Exact Mass
353.25997973
Charge
0
InChI
InChI=1S/C17H38N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5(2,3)4/h5-17H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChIKey
LRWSTBIEJXJNJY-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)(=O)O.CCCCCCCCCCCCCC[N+](C)(C)C
Isomeric Smiles
CCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.7974185
LogD (pH = 7.4)
1.7974185
Log P
1.7974185
Molar Refractivity
95.7853
Polarizability
33.581413
Polar Surface Area
0.0
Rotatable Bonds
13
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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