Molecule

ID:97636

General Information
Structure
MolImage
Molecular Formula
C₅H₄F₃NOS
Molecular Mass
183.1515696
Exact Mass
182.99656941
Charge
0
InChI
InChI=1S/C5H4F3NOS/c6-5(7,8)4-9-3(1-10)2-11-4/h2,10H,1H2
InChIKey
NGTOSARTLLCFTQ-UHFFFAOYSA-N
Canonic Smiles
OCc1csc(n1)C(F)(F)F
Isomeric Smiles
s1c(nc(c1)CO)C(F)(F)F
Calculated Properties
JChem
Acid pKa
13.819324
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2015538
LogD (pH = 7.4)
1.201554
Log P
1.2015541
Molar Refractivity
33.011
Polarizability
12.208153
Polar Surface Area
33.12
Rotatable Bonds
2
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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