Molecule

ID:123165

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₅S
Molecular Mass
266.2698
Exact Mass
266.02489442
Charge
0
InChI
InChI=1S/C12H10O5S/c13-12(14)11-7-6-9(17-11)8-18(15,16)10-4-2-1-3-5-10/h1-7H,8H2,(H,13,14)
InChIKey
JAYCQRGXFORAAZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)CS(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(Cc1oc(C(=O)O)cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.1139734
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0296181
LogD (pH = 7.4)
-2.1313448
Log P
1.3280474
Molar Refractivity
63.7022
Polarizability
25.193104
Polar Surface Area
84.58
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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