Molecule

ID:37635

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂O₄S
Molecular Mass
283.12842
Exact Mass
281.9520351
Charge
0
InChI
InChI=1S/C9H8Cl2O4S/c10-7-2-1-6(3-8(7)11)4-16(14,15)5-9(12)13/h1-3H,4-5H2,(H,12,13)
InChIKey
GKJGKCRDFKGLBB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CS(=O)(=O)Cc1ccc(c(c1)Cl)Cl
Isomeric Smiles
S(=O)(=O)(CC(=O)O)Cc1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.070268
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6797976
LogD (pH = 7.4)
-1.7473011
Log P
1.7183309
Molar Refractivity
60.5078
Polarizability
24.538248
Polar Surface Area
71.44
Rotatable Bonds
4
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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