Molecule

ID:96131

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₃N₄O₂S
Molecular Mass
268.2162896
Exact Mass
268.02418114
Charge
0
InChI
InChI=1S/C7H7F3N4O2S/c1-2-12-3(4(16-2)7(8,9)10)5(15)13-14-6(11)17/h1H3,(H,13,15)(H3,11,14,17)
InChIKey
FLJTZSAIXBAUJJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1nc(oc1C(F)(F)F)C)NNC(=S)N
Isomeric Smiles
n1c(C)oc(c1C(=O)NNC(=S)N)C(F)(F)F
Calculated Properties
JChem
Acid pKa
11.360554
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
0.039416254
LogD (pH = 7.4)
0.039375022
Log P
0.03941684
Molar Refractivity
55.2992
Polarizability
20.032633
Polar Surface Area
93.18
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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