Molecule

ID:96242

General Information
Structure
MolImage
Molecular Formula
C₄H₂F₄N₂OS
Molecular Mass
202.1300928
Exact Mass
201.98239657
Charge
0
InChI
InChI=1S/C4H2F4N2OS/c5-3(4(6,7)8)1(11)10-2(9)12-3/h(H2,9,10,11)
InChIKey
HZDNXMIRSSYJFL-UHFFFAOYSA-N
Canonic Smiles
FC(C1(F)SC(=NC1=O)N)(F)F
Isomeric Smiles
N1=C(SC(C1=O)(C(F)(F)F)F)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.36061
LogD (pH = 7.4)
1.3606101
Log P
1.3606101
Molar Refractivity
32.5645
Polarizability
12.241406
Polar Surface Area
55.45
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