Trimethylamine N-oxide | SBID = 1330 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C3H9NO
M / g/mol: 75.10966
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: Trimethylamine N-oxide
  • Preferred Abbreviation: Trimethylamine N-oxide
  • IUPAC Name:
  • CAS:
  • CID: -472
  • InChiKey: UYPYRKYUKCHHIB-UHFFFAOYSA-N
  • InChi: InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
  • CanoSmiles: [O-][N+](C)(C)C
  • IsoSmiles: C[N+](C)([O-])C