Molecule

ID:93142

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₂OS
Molecular Mass
190.2103264
Exact Mass
190.02639232
Charge
0
InChI
InChI=1S/C8H8F2OS/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8,11H,5H2
InChIKey
YFGYPJWQSXQCCF-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)SC(F)F
Isomeric Smiles
S(c1cc(ccc1)CO)C(F)F
Calculated Properties
JChem
Acid pKa
14.902156
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.893667
LogD (pH = 7.4)
2.893667
Log P
2.893667
Molar Refractivity
45.8106
Polarizability
17.167284
Polar Surface Area
20.23
Rotatable Bonds
3
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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