Molecule

ID:98779

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₃NO₄S
Molecular Mass
269.1977496
Exact Mass
268.99696334
Charge
0
InChI
InChI=1S/C8H6F3NO4S/c1-17(15,16)7-3-2-5(12(13)14)4-6(7)8(9,10)11/h2-4H,1H3
InChIKey
QOJWKPYXDXSLLL-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)S(=O)(=O)C
Isomeric Smiles
FC(c1c(ccc(c1)[N+](=O)[O-])S(=O)(=O)C)(F)F
Calculated Properties
JChem
Acid pKa
19.573587
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.631387
LogD (pH = 7.4)
1.631387
Log P
1.631387
Molar Refractivity
53.36
Polarizability
19.771832
Polar Surface Area
79.96
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