Molecule

ID:35264

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂S
Molecular Mass
272.32228
Exact Mass
272.06194863
Charge
0
InChI
InChI=1S/C14H12N2O2S/c1-2-18-13(17)12-9-19-14-15-11(8-16(12)14)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey
AKUAOHJSADUKFP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc2n1cc(n2)c1ccccc1
Isomeric Smiles
n12c(nc(c2)c2ccccc2)scc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1809325
LogD (pH = 7.4)
3.1818879
Log P
3.1819
Molar Refractivity
84.928
Polarizability
29.193787
Polar Surface Area
43.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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