Molecule

ID:27641

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₂S
Molecular Mass
217.24378
Exact Mass
217.01974947
Charge
0
InChI
InChI=1S/C11H7NO2S/c1-7-4-11(13)14-10-5-8(12-6-15)2-3-9(7)10/h2-5H,1H3
InChIKey
RZODWTHSAMFLEZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(=O)oc2c1ccc(c2)N=C=S
Isomeric Smiles
c12oc(=O)cc(c1ccc(c2)N=C=S)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1045785
LogD (pH = 7.4)
3.1045794
Log P
3.1045794
Molar Refractivity
62.8935
Polarizability
23.230913
Polar Surface Area
38.66
Rotatable Bonds
1
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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