Molecule

ID:101943

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₀F₆N₂OS
Molecular Mass
440.3616192
Exact Mass
440.04180327
Charge
0
InChI
InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
InChIKey
OYMNPJXKQVTQTR-UHFFFAOYSA-N
Canonic Smiles
FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F
Isomeric Smiles
c1(sc(c2nc(no2)c2cc(C(F)(F)F)ccc2)cc1c1ccccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.4271483
LogD (pH = 7.4)
7.4271483
Log P
7.4271483
Molar Refractivity
120.9444
Polarizability
37.792873
Polar Surface Area
38.92
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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