Molecule

ID:96057

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClFNO₅S
Molecular Mass
307.6826832
Exact Mass
306.97174923
Charge
0
InChI
InChI=1S/C10H7ClFNO5S/c11-7-5-6(19(12,17)18)1-2-8(7)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)
InChIKey
SDDMYSXLKQAMHN-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1Cl)S(=O)(=O)F)/C=C/C(=O)O
Isomeric Smiles
S(=O)(=O)(c1ccc(c(c1)Cl)NC(=O)/C=C/C(=O)O)F
Calculated Properties
JChem
Acid pKa
2.2425935
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.4155647
LogD (pH = 7.4)
-1.86322
Log P
1.656146
Molar Refractivity
67.2483
Polarizability
25.287119
Polar Surface Area
100.54
Rotatable Bonds
4
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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