Preorixine
PubChem CID: 15815867
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | preorixine, CHEMBL491783 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 62.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | QOTWJEWVWRAEQQ-GFCCVEGCSA-N |
| Fcsp3 | 0.4705882352941176 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | Preorixine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 317.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 317.126 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 317.34 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 7-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-6,8-dimethoxy-[1,3]dioxolo[4,5-h]quinoline |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.660753330434783 |
| Inchi | InChI=1S/C17H19NO5/c1-17(2)12(23-17)7-10-14(19-3)9-5-6-11-15(22-8-21-11)13(9)18-16(10)20-4/h5-6,12H,7-8H2,1-4H3/t12-/m1/s1 |
| Smiles | CC1([C@H](O1)CC2=C(C3=C(C4=C(C=C3)OCO4)N=C2OC)OC)C |
| Xlogp | 2.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H19NO5 |
- 1. Outgoing r'ship
FOUND_INto/from Orixa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients