15-Methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol
PubChem CID: 5315984
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| Topological Polar Surface Area | 32.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 408.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Is Pains | False |
| Molecular Formula | C17H21NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UIMPDKMBSQVICT-UHFFFAOYSA-N |
| Fcsp3 | 0.5294117647058824 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 15-Methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 271.157 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 271.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 271.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.799832 |
| Inchi | InChI=1S/C17H21NO2/c1-20-14-8-12-5-7-18-6-4-11-2-3-13(19)9-15(11)16(10-14)17(12)18/h2-3,8-9,14,16-17,19H,4-7,10H2,1H3 |
| Smiles | COC1CC2C3C(=C1)CCN3CCC4=C2C=C(C=C4)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cocculus Laurifolius (Plant) Rel Props:Source_db:cmaup_ingredients