Molecule

ID:57737

General Information
Structure
MolImage
Molecular Formula
C₈H₇NO₃S
Molecular Mass
197.21108
Exact Mass
197.01466409
Charge
0
InChI
InChI=1S/C8H7NO3S/c1-12-8-6-4-2-3-5-7(6)13(10,11)9-8/h2-5H,1H3
InChIKey
LGFRHWQFYVQIFJ-UHFFFAOYSA-N
Canonic Smiles
COC1=NS(=O)(=O)c2c1cccc2
Isomeric Smiles
S1(=O)(=O)N=C(c2c1cccc2)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.92914104
LogD (pH = 7.4)
0.9291417
Log P
0.9291417
Molar Refractivity
47.4672
Polarizability
18.871332
Polar Surface Area
55.73
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
暂无数据
点击上传数据
References
Bioactivity
Navigation