Molecule

ID:35011

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClFO₄S
Molecular Mass
280.7004032
Exact Mass
279.9972357
Charge
0
InChI
InChI=1S/C10H10ClFO4S/c11-9-5-8(12)2-1-7(9)6-17(15,16)4-3-10(13)14/h1-2,5H,3-4,6H2,(H,13,14)
InChIKey
XEHBKKRNAVQBRZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCS(=O)(=O)Cc1ccc(cc1Cl)F
Isomeric Smiles
S(=O)(=O)(Cc1c(cc(cc1)F)Cl)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.4307437
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.8685246
LogD (pH = 7.4)
-2.2053146
Log P
1.1896225
Molar Refractivity
60.7848
Polarizability
24.180853
Polar Surface Area
71.44
Rotatable Bonds
5
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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