Cinchonidine | SBID = 1404 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 12
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C19H22N2O
M / g/mol: 294.39078
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest, dye
  • Name: Cinchonidine
  • Preferred Abbreviation: Cinchonidine
  • IUPAC Name:
  • CAS: 485-71-2
  • CID: -516
  • InChiKey: KMPWYEUPVWOPIM-KODHJQJWSA-N
  • InChi: InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1
  • CanoSmiles: [H][C@@]1(C=C)[C@@H]2C[C@]([C@H](O)C3=CC=NC4=CC=CC=C43)([H])[N@](C1)CC2
  • IsoSmiles: [H][C@@]1(C=C)[C@@H]2C[C@]([C@H](O)C3=CC=NC4=CC=CC=C43)([H])[N@](C1)CC2