Molecule

ID:13714

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇F₃OS
Molecular Mass
280.2649896
Exact Mass
280.0169705
Charge
0
InChI
InChI=1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H
InChIKey
NEWRXGDGZGIHIS-UHFFFAOYSA-N
Canonic Smiles
O=c1c2cc(ccc2sc2c1cccc2)C(F)(F)F
Isomeric Smiles
c1(=O)c2cc(ccc2sc2ccccc12)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.525951
LogD (pH = 7.4)
4.525951
Log P
4.525951
Molar Refractivity
69.2333
Polarizability
25.316254
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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