Molecule

ID:11667

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNO₄S
Molecular Mass
249.67142
Exact Mass
248.98625642
Charge
0
InChI
InChI=1S/C8H8ClNO4S/c1-2-14-6(12)3-10-7(9)5(4-11)15-8(10)13/h4H,2-3H2,1H3
InChIKey
ITLZDQLBVPTHHN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1c(=O)sc(c1Cl)C=O
Isomeric Smiles
c1(n(c(=O)sc1C=O)CC(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.78539723
LogD (pH = 7.4)
0.78539723
Log P
0.78539723
Molar Refractivity
66.5672
Polarizability
21.721104
Polar Surface Area
63.68
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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