Molecule

ID:53590

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NO₄S
Molecular Mass
237.31646
Exact Mass
237.10347909
Charge
0
InChI
InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)
InChIKey
INEWUCPYEUEQTN-UHFFFAOYSA-N
Canonic Smiles
OC(CS(=O)(=O)O)CNC1CCCCC1
Isomeric Smiles
S(=O)(=O)(CC(CNC1CCCCC1)O)O
Calculated Properties
JChem
Acid pKa
-0.6693309
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.2220885
LogD (pH = 7.4)
-1.2233156
Log P
-1.2220783
Molar Refractivity
56.3564
Polarizability
23.4253
Polar Surface Area
86.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation