Molecule

ID:99792

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₃N₂S
Molecular Mass
206.1882096
Exact Mass
206.01255383
Charge
0
InChI
InChI=1S/C7H5F3N2S/c8-3-1-2-4(12-7(11)13)6(10)5(3)9/h1-2H,(H3,11,12,13)
InChIKey
OVJUYOKLFOWYFO-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Nc1ccc(c(c1F)F)F
Isomeric Smiles
Fc1c(ccc(c1F)F)NC(=S)N
Calculated Properties
JChem
Acid pKa
9.043949
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.1952677
LogD (pH = 7.4)
2.186128
Log P
2.195386
Molar Refractivity
48.2378
Polarizability
17.06771
Polar Surface Area
38.05
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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