Molecule

ID:76117

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClO₄S
Molecular Mass
298.74204
Exact Mass
298.00665751
Charge
0
InChI
InChI=1S/C13H11ClO4S/c1-17-12-7-2-3-8-13(12)18-10-5-4-6-11(9-10)19(14,15)16/h2-9H,1H3
InChIKey
OKUIQFDHDUXTFO-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1Oc1cccc(c1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cccc(c1)Oc1c(cccc1)OC)Cl
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
29.236732
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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