1-(13-Methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraen-15-yl)ethanol
PubChem CID: 5318193
Connections displayed (default: 10).
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| Topological Polar Surface Area | 45.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 621.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraen-15-yl)ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C20H24N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WWJBPXXKMPCCIZ-UHFFFAOYSA-N |
| Fcsp3 | 0.65 |
| Logs | -2.459 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.986 |
| Compound Name | 1-(13-Methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraen-15-yl)ethanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 324.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.184 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8587288 |
| Inchi | InChI=1S/C20H24N2O2/c1-11(23)20-10-22(2)16-8-19(20)13-5-3-4-6-15(13)21-18(19)17-7-14(20)12(16)9-24-17/h3-6,11-12,14,16-17,23H,7-10H2,1-2H3 |
| Smiles | CC(C12CN(C3CC14C5=CC=CC=C5N=C4C6CC2C3CO6)C)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gelsemium Elegans (Plant) Rel Props:Source_db:cmaup_ingredients