Neutral Red protonated | SBID = 1043 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 22
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C15H17N4+
M / g/mol: 253.32228
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, dye, charged
  • Name: Neutral Red protonated
  • Preferred Abbreviation: Neutral Red protonated
  • IUPAC Name:
  • CAS:
  • CID: -335
  • InChiKey: KPTCDDDZAJVXHD-UHFFFAOYSA-O
  • InChi: InChI=1S/C15H16N4/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13/h4-8H,1-3H3,(H2,16,18)/p+1
  • CanoSmiles: Cc1cc2nc3-c([nH]c2cc1N)cc(=[N+](C)C)cc3
  • IsoSmiles: [H]N1C2=CC(N)=C(C)C=C2N=C3C1=C/C(C=C3)=[N+](C)/C