Molecule

ID:94263

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂FO₄S
Molecular Mass
273.0657232
Exact Mass
271.91131316
Charge
0
InChI
InChI=1S/C7H3Cl2FO4S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2H,(H,11,12)
InChIKey
YMIBTQKARVYVLX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(c(cc1F)Cl)S(=O)(=O)Cl
Isomeric Smiles
OC(=O)c1cc(c(cc1F)Cl)S(=O)(=O)Cl
Calculated Properties
JChem
Acid pKa
3.0117059
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.12801746
LogD (pH = 7.4)
-1.1493076
Log P
2.3238783
Molar Refractivity
52.5296
Polarizability
20.767946
Polar Surface Area
71.44
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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