Molecule

ID:96446

General Information
Structure
MolImage
Molecular Formula
C₁₆H₇F₇OS
Molecular Mass
380.2800024
Exact Mass
380.01058338
Charge
0
InChI
InChI=1S/C16H7F7OS/c17-11-10-5-8(24-15(10)14(20)13(19)12(11)18)6-25-9-3-1-2-7(4-9)16(21,22)23/h1-5H,6H2
InChIKey
DEIOJBPCZMWGPS-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c2c1cc(o2)CSc1cccc(c1)C(F)(F)F)F
Isomeric Smiles
o1c2c(c(c(c(c2F)F)F)F)cc1CSc1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5940313
LogD (pH = 7.4)
5.5940313
Log P
5.5940313
Molar Refractivity
79.1906
Polarizability
29.378025
Polar Surface Area
13.14
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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