Molecule

ID:136398

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₂S
Molecular Mass
177.2645
Exact Mass
177.08234973
Charge
0
InChI
InChI=1S/C7H15NO2S/c1-7(2,3)11(9)8-6-4-10-5-6/h6,8H,4-5H2,1-3H3
InChIKey
AOWTUVYKVSBKQL-UHFFFAOYSA-N
Canonic Smiles
CC(S(=O)NC1COC1)(C)C
Isomeric Smiles
CC(C)(C)S(=O)NC1COC1
Calculated Properties
JChem
Acid pKa
15.760926
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.28709993
LogD (pH = 7.4)
0.2871
Log P
0.2871
Molar Refractivity
44.4424
Polarizability
18.364502
Polar Surface Area
38.33
Rotatable Bonds
2
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