Molecule

ID:134511

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₅NO₄S
Molecular Mass
325.5077
Exact Mass
325.22867961
Charge
0
InChI
InChI=1S/C15H34N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-5(2,3)4/h5-15H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChIKey
KSZDKSNRUYOJHR-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)(=O)O.CCCCCCCCCCCC[N+](C)(C)C
Isomeric Smiles
CCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.9082812
LogD (pH = 7.4)
0.9082812
Log P
0.9082812
Molar Refractivity
86.5833
Polarizability
29.887444
Polar Surface Area
0.0
Rotatable Bonds
11
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
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References
Bioactivity
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