3,6-Diaminoacridin-10-ium | SBID = 428 | Compound | Custom Molecule

Molecular Properties

Interactions: 7
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C13H12N3+
M / g/mol: 210.26
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, dye, charged
  • Name: 3,6-Diaminoacridin-10-ium
  • Preferred Abbreviation: Proflavine
  • IUPAC Name: 3,6-diaminoacridin-10-ium
  • CAS:
  • CID: -79
  • InChiKey: WDVSHHCDHLJJJR-UHFFFAOYSA-O
  • InChi: InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2/p+1
  • CanoSmiles: NC1=CC2=[NH+]C3=CC(N)=CC=C3C=C2C=C1
  • IsoSmiles: NC1=CC2=[NH+]C3=CC(N)=CC=C3C=C2C=C1