Molecule

ID:42065

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂O₃S
Molecular Mass
281.1556
Exact Mass
279.97277054
Charge
0
InChI
InChI=1S/C10H10Cl2O3S/c1-3-16(14,15)8-5-4-7(6(2)13)9(11)10(8)12/h4-5H,3H2,1-2H3
InChIKey
VFJLOYYENFZIQZ-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)c1ccc(c(c1Cl)Cl)C(=O)C
Isomeric Smiles
c1(S(=O)(=O)CC)c(c(c(cc1)C(=O)C)Cl)Cl
Calculated Properties
JChem
Acid pKa
15.069088
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0882883
LogD (pH = 7.4)
2.0882883
Log P
2.0882883
Molar Refractivity
64.7396
Polarizability
25.824118
Polar Surface Area
51.21
Rotatable Bonds
3
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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