Molecule

ID:44358

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₃N₂OS
Molecular Mass
264.2673496
Exact Mass
264.05441864
Charge
0
InChI
InChI=1S/C10H11F3N2OS/c11-10(12,13)7-1-3-15(4-2-7)9-14-5-8(6-16)17-9/h5-7H,1-4H2
InChIKey
DGADTZIGHLQBTO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(s1)N1CCC(CC1)C(F)(F)F
Isomeric Smiles
C1C(CCN(C1)c1sc(cn1)C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.683895
LogD (pH = 7.4)
2.683953
Log P
2.6839538
Molar Refractivity
59.0849
Polarizability
21.03275
Polar Surface Area
33.2
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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