chloroacetamide 2,6-diazaadamantane nitroxide radical | SBID = 2708 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2: 23.55
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 0.91
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C10H14ClN2O2
M / g/mol: 229.68336
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: chloroacetamide 2,6-diazaadamantane nitroxide radical
  • Preferred Abbreviation: ClA-DZD
  • IUPAC Name:
  • CAS:
  • CID: -1207
  • InChiKey: DPCWQQQWFPQQKQ-UHFFFAOYSA-N
  • InChi: InChI=1S/C10H14ClN2O2/c11-5-10(14)12-6-1-8-3-7(12)4-9(2-6)13(8)15/h6-9H,1-5H2
  • CanoSmiles: ClCC(=O)N1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)N3[O]
  • IsoSmiles: [O]N1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)N3C(CCl)=O