Molecule

ID:8065

General Information
Structure
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Molecular Formula
C₆H₂F₄S
Molecular Mass
182.1386928
Exact Mass
181.98133394
Charge
0
InChI
InChI=1S/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
InChIKey
IGOGJHYWSOZGAE-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1F)S)F
Isomeric Smiles
c1(c(c(cc(c1F)F)F)F)S
Calculated Properties
JChem
Acid pKa
3.61931
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.3360604
LogD (pH = 7.4)
1.2128646
Log P
2.6372607
Molar Refractivity
34.9334
Polarizability
12.564676
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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