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Small molecule Experimental
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Chemistry

Mol. Mass

579.28

ALogP

0.52

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CS(=O)(=O)OCCN(CCBr)c1c(C(=O)NCCOP(=O)(O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
  • InChIKey: GZSOKPMDWVRVMG-UHFFFAOYSA-N
    InChI=1S/C14H20BrN4O12PS/c1-33(28,29)31-7-5-17(4-2-15)13-11(14(20)16-3-6-30-32(25,26)27)8-10(18(21)22)9-12(13)19(23)24/h8-9H,2-7H2,1H3,(H,16,20)(H2,25,26,27)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297321   ChEMBL
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