Molecule

ID:82882

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆O₃S
Molecular Mass
336.40424
Exact Mass
336.08201537
Charge
0
InChI
InChI=1S/C20H16O3S/c1-22-16-9-7-15(8-10-16)18(21)11-12-20-19(13-14-24-20)23-17-5-3-2-4-6-17/h2-14H,1H3
InChIKey
RMKRIECRQAFWAQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/c1sccc1Oc1ccccc1
Isomeric Smiles
s1c(c(cc1)Oc1ccccc1)/C=C/C(=O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
15.354649
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1458225
LogD (pH = 7.4)
5.1458225
Log P
5.1458225
Molar Refractivity
96.4709
Polarizability
36.823895
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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