Molecule

ID:65211

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂S
Molecular Mass
189.2752
Exact Mass
189.08234973
Charge
0
InChI
InChI=1S/C8H15NO2S/c1-7(2,3)12(10)9-4-8(9)5-11-6-8/h4-6H2,1-3H3
InChIKey
FHCANTYZNAHYTO-UHFFFAOYSA-N
Canonic Smiles
CC(S(=O)N1CC21COC2)(C)C
Isomeric Smiles
C1C2(N1S(=O)C(C)(C)C)COC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.091499954
LogD (pH = 7.4)
0.0915
Log P
0.0915
Molar Refractivity
47.2597
Polarizability
19.480585
Polar Surface Area
29.31
Rotatable Bonds
1
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