resomelagon Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

298.31

ALogP

1.87

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: N=C(N)N/N=C/C=C/c1cccn1-c1ccccc1[N+](=O)[O-]
  • InChIKey: ZSDGHWLLLGYAJV-AHEHSYJASA-N
    InChI=1S/C14H14N6O2/c15-14(16)18-17-9-3-5-11-6-4-10-19(11)12-7-1-2-8-13(12)20(21)22/h1-10H,(H4,15,16,18)/b5-3+,17-9+
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5315047   ChEMBL
resomelagon

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