Pyronine | SBID = 259 | Compound | Custom Molecule

Molecular Properties

Interactions: 2
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: C13H11N2O+
M / g/mol: 211.24
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, dye, charged
  • Name: Pyronine
  • Preferred Abbreviation: Pyronine
  • IUPAC Name:
  • CAS:
  • CID: -36
  • InChiKey: DJXIADRXORLNJX-UHFFFAOYSA-O
  • InChi: InChI=1S/C13H10N2O/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7,14H,15H2/p+1
  • CanoSmiles: NC1=CC=C2C([O+]=C(C=C(N)C=C3)C3=C2)=C1
  • IsoSmiles: NC1=CC(OC2=CC3=[NH2+])=C(C=C2C=C3)C=C1