Molecule

ID:64281

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNO₂S₂
Molecular Mass
217.2405632
Exact Mass
216.96674859
Charge
0
InChI
InChI=1S/C7H4FNO2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H
InChIKey
WNKAAUWKENUQEO-UHFFFAOYSA-N
Canonic Smiles
FS(=O)(=O)c1nc2c(s1)cccc2
Isomeric Smiles
c1(S(=O)(=O)F)nc2c(s1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4564354
LogD (pH = 7.4)
2.4564354
Log P
2.4564354
Molar Refractivity
46.1612
Polarizability
19.61864
Polar Surface Area
47.03
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