Molecule

ID:104103

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₂S
Molecular Mass
209.26484
Exact Mass
209.0510496
Charge
0
InChI
InChI=1S/C10H11NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H,11H2
InChIKey
BETNDOIDTQSERV-UHFFFAOYSA-N
Canonic Smiles
NS(c1ccc2c(c1)cccc2)(O)O
Isomeric Smiles
NS(O)(O)c1ccc2ccccc2c1
Calculated Properties
JChem
Acid pKa
13.849402
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.4145045
LogD (pH = 7.4)
-0.43762892
Log P
1.6803646
Molar Refractivity
58.0936
Polarizability
24.387793
Polar Surface Area
66.48
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