Molecule

ID:59434

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂S
Molecular Mass
219.25966
Exact Mass
219.03539953
Charge
0
InChI
InChI=1S/C11H9NO2S/c1-14-9-4-2-8(3-5-9)11-12-6-10(7-13)15-11/h2-7H,1H3
InChIKey
DFJPGTVCVKDDEY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ncc(s1)C=O
Isomeric Smiles
c1(ncc(s1)C=O)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3440542
LogD (pH = 7.4)
2.344079
Log P
2.3440793
Molar Refractivity
69.1993
Polarizability
22.80956
Polar Surface Area
39.19
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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