Molecule

ID:95363

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClF₃N₃O₃S
Molecular Mass
393.7686496
Exact Mass
393.01617457
Charge
0
InChI
InChI=1S/C14H11ClF3N3O3S/c15-11-3-1-9(7-20-11)13(22)19-5-6-25(23,24)12-4-2-10(8-21-12)14(16,17)18/h1-4,7-8H,5-6H2,(H,19,22)
InChIKey
ZDJQOIUUXFCSOQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Isomeric Smiles
S(=O)(=O)(c1ncc(cc1)C(F)(F)F)CCNC(=O)c1ccc(nc1)Cl
Calculated Properties
JChem
Acid pKa
13.761309
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.7029632
LogD (pH = 7.4)
1.7029636
Log P
1.7029638
Molar Refractivity
85.4686
Polarizability
32.174053
Polar Surface Area
89.02
Rotatable Bonds
6
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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