Molecule

ID:9394

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₂S
Molecular Mass
146.1577664
Exact Mass
146.00017757
Charge
0
InChI
InChI=1S/C6H4F2S/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey
BICHBFCGCJNCAT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)S
Isomeric Smiles
c1c(cc(c(c1)S)F)F
Calculated Properties
JChem
Acid pKa
4.6117406
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.5212765
LogD (pH = 7.4)
0.9433814
Log P
2.351857
Molar Refractivity
34.5006
Polarizability
12.783059
Polar Surface Area
0.0
Rotatable Bonds
0
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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