Molecule

ID:116458

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₅S
Molecular Mass
244.26428
Exact Mass
244.04054448
Charge
0
InChI
InChI=1S/C10H12O5S/c1-16(11,12)14-7-8-6-13-9-4-2-3-5-10(9)15-8/h2-5,8H,6-7H2,1H3
InChIKey
DKZOUTWWMFKQGK-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)OCC1COc2c(O1)cccc2
Isomeric Smiles
S(=O)(=O)(OCC1Oc2c(OC1)cccc2)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.7922076
LogD (pH = 7.4)
0.7922076
Log P
0.7922076
Molar Refractivity
55.7304
Polarizability
23.28324
Polar Surface Area
61.83
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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