Molecule

ID:8054

General Information
Structure
MolImage
Molecular Formula
C₇HF₄NS
Molecular Mass
207.1481528
Exact Mass
206.97658292
Charge
0
InChI
InChI=1S/C7HF4NS/c8-3-1-4(9)6(11)7(5(3)10)12-2-13/h1H
InChIKey
QUNNLKBODYSOQL-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1c(F)c(F)cc(c1F)F
Isomeric Smiles
c1(cc(c(c(c1F)N=C=S)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5658789
LogD (pH = 7.4)
3.5658789
Log P
3.5658789
Molar Refractivity
43.9865
Polarizability
15.110485
Polar Surface Area
12.36
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