Molecule

ID:94058

General Information
Structure
MolImage
Molecular Formula
C₆H₇FN₂O₂S
Molecular Mass
190.1953832
Exact Mass
190.02122669
Charge
0
InChI
InChI=1S/C6H7FN2O2S/c1-4-3-5(2)9-6(8-4)12(7,10)11/h3H,1-2H3
InChIKey
BPDMJOYLYBUPSI-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(nc(c1)C)S(=O)(=O)F
Isomeric Smiles
n1c(nc(cc1C)C)S(=O)(=O)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.6499756
LogD (pH = 7.4)
0.6499756
Log P
0.6499756
Molar Refractivity
41.4105
Polarizability
16.149807
Polar Surface Area
59.92
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