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Chemistry

Mol. Mass

273.2408

ALogP

2.55

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC1=CC=C(C=C1)C(=O)C2=CC(O)=C(O)C(=C2)[N+]([O-])=O
  • InChIKey: MIQPIUSUKVNLNT-UHFFFAOYSA-N
    1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1324   ChEMBL
tolcapone

CIF6334OLY   NCATS
tolcapone *

Tolcapone   Wikipedia

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