5,17-Dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-4-ol
PubChem CID: 5321711
Connections displayed (default: 10).
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| Topological Polar Surface Area | 41.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 479.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C19H25NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JKBKYSIMIARAEZ-UHFFFAOYSA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -2.666 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.936 |
| Compound Name | 5,17-Dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-4-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 315.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 315.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 315.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.33080407826087 |
| Inchi | InChI=1S/C19H25NO3/c1-22-15-6-5-14-7-9-20-8-3-4-13-10-18(23-2)17(21)11-16(13)19(14,20)12-15/h5,10-11,15,21H,3-4,6-9,12H2,1-2H3 |
| Smiles | COC1CC=C2CCN3C2(C1)C4=CC(=C(C=C4CCC3)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Taxus Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients