Molecule

ID:125792

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₃N₂O₂S
Molecular Mass
288.2456896
Exact Mass
288.01803313
Charge
0
InChI
InChI=1S/C11H7F3N2O2S/c12-11(13,14)6-3-1-2-5(4-6)8-7(15)9(10(17)18)19-16-8/h1-4H,15H2,(H,17,18)
InChIKey
KVMCEGAWQYTFKC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1snc(c1N)c1cccc(c1)C(F)(F)F
Isomeric Smiles
FC(F)(F)c1cccc(c1)c1nsc(c1N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9021513
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.860974
LogD (pH = 7.4)
0.25225243
Log P
3.4648798
Molar Refractivity
64.4776
Polarizability
23.789028
Polar Surface Area
76.21
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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