Molecule

ID:100787

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆F₃NOS
Molecular Mass
257.2316496
Exact Mass
257.01221948
Charge
0
InChI
InChI=1S/C11H6F3NOS/c12-11(13,14)8-3-1-7(2-4-8)10-15-9(5-16)6-17-10/h1-6H
InChIKey
YPZISSVPSMFGDW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1csc(n1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
n1c(c2ccc(cc2)C(F)(F)F)scc1C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9216964
LogD (pH = 7.4)
3.9217026
Log P
3.9217029
Molar Refractivity
68.5405
Polarizability
21.46873
Polar Surface Area
29.96
Rotatable Bonds
3
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