Molecule

ID:75398

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClO₄S
Molecular Mass
298.74204
Exact Mass
298.00665751
Charge
0
InChI
InChI=1S/C13H11ClO4S/c1-17-12-4-2-3-5-13(12)18-10-6-8-11(9-7-10)19(14,15)16/h2-9H,1H3
InChIKey
DKNWPXFCLUKCQB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1Oc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
O(c1ccc(cc1)S(=O)(=O)Cl)c1ccccc1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2621648
LogD (pH = 7.4)
3.2621648
Log P
3.2621648
Molar Refractivity
72.9562
Polarizability
29.236147
Polar Surface Area
52.6
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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