Molecule
ID:122414
General Information
Molecular Formula
C₁₅H₁₄FNO₄S
Molecular Mass
323.3393632
Exact Mass
323.06275715
Charge
0
InChI
InChI=1S/C15H14FNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)/t14-/m0/s1
InChIKey
JRSXZZNEKZTTJP-AWEZNQCLSA-N
Canonic Smiles
OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)F)Cc1ccccc1
Isomeric Smiles
S(=O)(=O)(N[C@H](C(=O)O)Cc1ccccc1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.2176197
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.38798177
LogD (pH = 7.4)
-0.7952674
Log P
2.6487286
Molar Refractivity
78.5265
Polarizability
30.980583
Polar Surface Area
83.47
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...