Molecule

ID:61432

General Information
Structure
MolImage
Molecular Formula
C₆H₆F₅NS
Molecular Mass
219.175556
Exact Mass
219.0141113
Charge
0
InChI
InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4H,12H2
InChIKey
NUFLICUHOXHWER-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)S(F)(F)(F)(F)F
Isomeric Smiles
S(c1cc(ccc1)N)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1459985
LogD (pH = 7.4)
3.146
Log P
3.146
Molar Refractivity
43.437
Polarizability
15.166516
Polar Surface Area
26.02
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