Molecule

ID:110495

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆F₂S
Molecular Mass
278.3600464
Exact Mass
278.09407795
Charge
0
InChI
InChI=1S/C16H16F2S/c17-15-5-1-13(2-6-15)9-11-19-12-10-14-3-7-16(18)8-4-14/h1-8H,9-12H2
InChIKey
SWFVVOURHRULOC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CCSCCc1ccc(cc1)F
Isomeric Smiles
Fc1ccc(CCSCCc2ccc(F)cc2)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.3276963
LogD (pH = 7.4)
5.3276963
Log P
5.3276963
Molar Refractivity
78.1581
Polarizability
29.495909
Polar Surface Area
0.0
Rotatable Bonds
6
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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