Molecule

ID:98827

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₂S
Molecular Mass
160.1843464
Exact Mass
160.01582763
Charge
0
InChI
InChI=1S/C7H6F2S/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
JTWWSQKULIETTL-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(c(c1)F)F
Isomeric Smiles
S(c1cc(c(cc1)F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8868668
LogD (pH = 7.4)
2.8868668
Log P
2.8868668
Molar Refractivity
39.2497
Polarizability
14.593587
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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