Molecule

ID:92198

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂S
Molecular Mass
219.25966
Exact Mass
219.03539953
Charge
0
InChI
InChI=1S/C11H9NO2S/c1-14-11(13)8-4-5-9(12-7-8)10-3-2-6-15-10/h2-7H,1H3
InChIKey
SXGLIAOLXVLUCM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(nc1)c1cccs1
Isomeric Smiles
s1c(ccc1)c1ccc(cn1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5692203
LogD (pH = 7.4)
2.5692735
Log P
2.5692742
Molar Refractivity
57.5805
Polarizability
23.46365
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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