3-methyl-13λ⁵-azatricyclo[7.3.1.0⁵,¹³]tridecan-13-one
AlkaPlorer ID: AK040109
Synonym: None
IUPAC Name: (1S,5R)-3-methyl-13-oxido-13-azoniatricyclo[7.3.1.05,13]tridecane
Structure
SMILES: CC1C[C@H]2CCCC3CCC[C@@H](C1)[N+]32[O-]
InChI: InChI=1S/C13H23NO/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11,12)15/h10-13H,2-9H2,1H3/t10?,11?,12-,13+,14?
InChIKey: NJQZDKSCLZDPMI-LJZITESISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Styrax benzoin | Styrax | Styracaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 209.333
TPSA？: 23.06
MolLogP？: 3.204500000000002
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|