Compound Summary


  Compound Information
 Indirubin

Compound Name:

Indirubin

Compound CID:

10177

Synonyms:

Indirubin

479-41-4

Indigo Red

Couroupitine B

Indigopurpurin

More...

Iupac Name:

2-(2-hydroxy-1H-indol-3-yl)indol-3-one

InChI:

InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,18,20H

InChIKey:

JNLNPCNGMHKCKO-UHFFFAOYSA-N

Canonical Smiles:

C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O

Isomeric Smiles:

C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O

Molecular Weight:

262.26

Molecular Formula:

C16H10N2O2

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

Molecular Weight:

262.26

Molecular Formula:

C16H10N2O2

Hydrogen Bond Donor Count:

2

Hydrogen Bond Acceptor Count:

3

Rotatable Bond Count:

1

Heavy Atom Count:

20

Complexity:

448

  Synonyms
 Indirubin

  Experimental Data
 Indirubin

  Experimental Data Visualization
 Indirubin

  Statistics Data
 Indirubin

  Statistics Data Visualization
 Indirubin