1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one oxime
PubChem CID: 551906
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one oxime, AJPFDLSTNHSVQG-OWBHPGMISA-N |
|---|---|
| Topological Polar Surface Area | 65.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(9-hydroxyimino-3,6-diazatricyclo[4.3.1.13,8]undecan-1-yl)ethyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C13H21N3O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AJPFDLSTNHSVQG-UHFFFAOYSA-N |
| Fcsp3 | 0.8461538461538461 |
| Logs | -0.808 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.201 |
| Compound Name | 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one oxime |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 267.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 267.158 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 267.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.0444398 |
| Inchi | InChI=1S/C13H21N3O3/c1-10(17)19-5-2-13-8-15-3-4-16(9-13)7-11(6-15)12(13)14-18/h11,18H,2-9H2,1H3 |
| Smiles | CC(=O)OCCC12CN3CCN(C1)CC(C3)C2=NO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients