Molecule

ID:97077

General Information
Structure
Molecular Formula
C₁₉H₁₄F₄O₃S₂
Molecular Mass
430.4362728
Exact Mass
430.03204919
Charge
0
InChI
InChI=1S/C19H14F4O3S2/c20-15-11-13-18(14-12-15)27(16-7-3-1-4-8-16,17-9-5-2-6-10-17)26-28(24,25)19(21,22)23/h1-14H
InChIKey
VTKYEKOXEMBETI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)S(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(F)(F)F
Isomeric Smiles
S(c1ccc(cc1)F)(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.28
LogD (pH = 7.4)
7.28
Log P
7.28
Molar Refractivity
98.1626
Polarizability
38.92774
Polar Surface Area
43.37
Rotatable Bonds
6
Lipinski's Rule of Five
false
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
References
Bioactivity
Navigation