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Small molecule Experimental

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Chemistry

Mol. Mass

236.7

ALogP

2.7

Rule of 5

Yes

Rule of 3

Yes
Details
  • SMILES: CC(C)(O)c1nc2ccc(Cl)cc2cc1N
  • InChIKey: GUHFUVLKYSQIOQ-UHFFFAOYSA-N
    InChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-5-8(13)3-4-10(7)15-11/h3-6,16H,14H2,1-2H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297210   ChEMBL
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