Molecule

ID:53733

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₂NO₄S
Molecular Mass
279.2604464
Exact Mass
279.03768528
Charge
0
InChI
InChI=1S/C10H11F2NO4S/c1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
InChIKey
RTAWCKGXCGSFJI-UHFFFAOYSA-N
Canonic Smiles
CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)O)F
Isomeric Smiles
S(=O)(=O)(Nc1c(c(C(=O)O)c(cc1)F)F)CCC
Calculated Properties
JChem
Acid pKa
2.4116583
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.6385487
LogD (pH = 7.4)
-2.4653583
Log P
1.3208914
Molar Refractivity
59.8266
Polarizability
23.18749
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