Molecule

ID:39623

General Information
Structure
Molecular Formula
C₁₀H₁₀F₃NO₄S
Molecular Mass
297.2509096
Exact Mass
297.02826347
Charge
0
InChI
InChI=1S/C10H10F3NO4S/c1-6(9(15)16)14-19(17,18)8-4-2-3-7(5-8)10(11,12)13/h2-6,14H,1H3,(H,15,16)
InChIKey
OZVPEEXYQQFKJL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NS(=O)(=O)c1cccc(c1)C(F)(F)F)C
Isomeric Smiles
S(=O)(=O)(NC(C(=O)O)C)c1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.0475974
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.6914707
LogD (pH = 7.4)
-1.7421057
Log P
1.7275487
Molar Refractivity
59.6648
Polarizability
23.143267
Polar Surface Area
83.47
Rotatable Bonds
4
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