Molecule
ID:122769
General Information
Molecular Formula
C₁₀H₈ClNO₄S
Molecular Mass
273.69282
Exact Mass
272.98625642
Charge
0
InChI
InChI=1S/C10H8ClNO4S/c11-17(15,16)8-3-1-7(2-4-8)12-9(13)5-6-10(12)14/h1-4H,5-6H2
InChIKey
OSXUEFNNGFSXIC-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(=O)N1c1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(N2C(=O)CCC2=O)cc1)Cl
Calculated Properties
JChem
Acid pKa
17.161108
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.834466
LogD (pH = 7.4)
0.834466
Log P
0.834466
Molar Refractivity
61.1499
Polarizability
24.426935
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
No Data Available
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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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