Molecule

ID:111342

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₄S
Molecular Mass
205.23154
Exact Mass
205.04087884
Charge
0
InChI
InChI=1S/C7H9N.H2O4S/c1-6-4-2-3-5-7(6)8;1-5(2,3)4/h2-5H,8H2,1H3;(H2,1,2,3,4)
InChIKey
RNWVKJZITPOKMO-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.Cc1ccccc1N
Isomeric Smiles
OS(=O)(=O)O.Cc1ccccc1N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.618431
LogD (pH = 7.4)
1.6572233
Log P
1.6577413
Molar Refractivity
35.7996
Polarizability
13.263299
Polar Surface Area
26.02
Rotatable Bonds
0
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