Molecule

ID:12853

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FNO₄S
Molecular Mass
247.2434032
Exact Mass
247.03145703
Charge
0
InChI
InChI=1S/C9H10FNO4S/c1-16(14,15)11(6-9(12)13)8-5-3-2-4-7(8)10/h2-5H,6H2,1H3,(H,12,13)
InChIKey
HSTNUHGEHQNAEP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(S(=O)(=O)C)c1ccccc1F
Isomeric Smiles
c1ccc(c(c1)F)N(CC(=O)O)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
3.130189
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.15184
LogD (pH = 7.4)
-3.266191
Log P
0.1907463
Molar Refractivity
53.9389
Polarizability
21.562386
Polar Surface Area
74.68
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