Molecule

ID:116155

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀FNO₄S
Molecular Mass
295.2862032
Exact Mass
295.03145703
Charge
0
InChI
InChI=1S/C13H10FNO4S/c14-10-4-6-12(7-5-10)20(18,19)15-11-3-1-2-9(8-11)13(16)17/h1-8,15H,(H,16,17)
InChIKey
DQRNDEPUAOBYQO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)O
Isomeric Smiles
S(=O)(=O)(Nc1cc(C(=O)O)ccc1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.96587
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.7177993
LogD (pH = 7.4)
-0.99999624
Log P
2.261196
Molar Refractivity
70.3628
Polarizability
27.299517
Polar Surface Area
83.47
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