Compound Summary


Plumbagin
  Compound Information
 Plumbagin

Compound Name:

Plumbagin

Compound CID:

10205

Synonyms:

Plumbagin

481-42-5

Plumbagine

5-Hydroxy-2-methyl-1,4-naphthoquinone

Plumbaein

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Iupac Name:

5-hydroxy-2-methylnaphthalene-1,4-dione

InChI:

InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3

InChIKey:

VCMMXZQDRFWYSE-UHFFFAOYSA-N

Canonical Smiles:

CC1=CC(=O)C2=C(C1=O)C=CC=C2O

Isomeric Smiles:

CC1=CC(=O)C2=C(C1=O)C=CC=C2O

Molecular Weight:

188.18

Molecular Formula:

C11H8O3

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 Plumbagin

Molecular Weight:

188.18

Molecular Formula:

C11H8O3

Hydrogen Bond Donor Count:

1

Hydrogen Bond Acceptor Count:

3

Rotatable Bond Count:

0

Heavy Atom Count:

14

Complexity:

317

  Synonyms
 Plumbagin

  Experimental Data
 Plumbagin

  Experimental Data Visualization
 Plumbagin

  Statistics Data
 Plumbagin

  Statistics Data Visualization
 Plumbagin