Molecule

ID:101237

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₄S
Molecular Mass
316.37154
Exact Mass
316.07692999
Charge
0
InChI
InChI=1S/C17H16O4S/c1-13-6-8-15(9-7-13)22(18,19)21-11-10-14-12-20-17-5-3-2-4-16(14)17/h2-9,12H,10-11H2,1H3
InChIKey
OEJOFPWUQPRTDR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)OCCc1coc2c1cccc2
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)OCCc1coc2c1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2177925
LogD (pH = 7.4)
4.2177925
Log P
4.2177925
Molar Refractivity
84.4127
Polarizability
34.563683
Polar Surface Area
56.51
Rotatable Bonds
5
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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