Molecule
ID:116610
General Information
Molecular Formula
C₁₁H₉ClFNO₄S
Molecular Mass
305.7098632
Exact Mass
304.99248467
Charge
0
InChI
InChI=1S/C11H9ClFNO4S/c12-10(15)9-5-19(17,18)6-14(9)11(16)7-1-3-8(13)4-2-7/h1-4,9H,5-6H2
InChIKey
KHVDMEOMRXKQBP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CS(=O)(=O)CN1C(=O)c1ccc(cc1)F
Isomeric Smiles
N1(C(CS(=O)(=O)C1)C(=O)Cl)C(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
17.738287
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.25425723
LogD (pH = 7.4)
0.25425723
Log P
0.25425723
Molar Refractivity
65.6803
Polarizability
25.892265
Polar Surface Area
71.52
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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