Molecule

ID:18900

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO₃S
Molecular Mass
201.24284
Exact Mass
201.04596422
Charge
0
InChI
InChI=1S/C8H11NO3S/c1-6-3-4-8(13(9,10)11)7(5-6)12-2/h3-5H,1-2H3,(H2,9,10,11)
InChIKey
GQUFSEOISDLWMN-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1S(=O)(=O)N
Isomeric Smiles
c1c(cc(c(c1)S(=O)(=O)N)OC)C
Calculated Properties
JChem
Acid pKa
9.921431
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9350121
LogD (pH = 7.4)
0.9338705
Log P
0.9350267
Molar Refractivity
49.7203
Polarizability
19.92755
Polar Surface Area
69.39
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
暂无数据
点击上传数据
References
Bioactivity
Navigation