Molecule

ID:9944

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂OS
Molecular Mass
260.2355896
Exact Mass
260.02311851
Charge
0
InChI
InChI=1S/C10H7F3N2OS/c1-15-9(10(11,12)13)4-7(14-15)8-3-2-6(5-16)17-8/h2-5H,1H3
InChIKey
ITUYPRXQRPMRTL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)c1nn(c(c1)C(F)(F)F)C
Isomeric Smiles
c1(cc(nn1C)c1sc(cc1)C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8541129
LogD (pH = 7.4)
2.854121
Log P
2.854121
Molar Refractivity
68.8348
Polarizability
21.637651
Polar Surface Area
34.89
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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