5,14-Dimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,5,7,12(16),13-hexaen-4-one
PubChem CID: 145952033
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| Compound Synonyms | CHEMBL4172271, BDBM50278118 |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,14-dimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,5,7,12(16),13-hexaen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT204 |
| Xlogp | 2.0 |
| Molecular Formula | C17H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WOXLZEPBPFAHPP-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.957 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.703 |
| Compound Name | 5,14-Dimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,5,7,12(16),13-hexaen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 281.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.446561533333334 |
| Inchi | InChI=1S/C17H15NO3/c1-20-12-5-10-3-4-18-9-11-6-16(21-2)15(19)8-13(11)14(7-12)17(10)18/h5-9H,3-4H2,1-2H3 |
| Smiles | COC1=CC2=C3C(=C1)C4=CC(=O)C(=CC4=CN3CC2)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zephyranthes Carinata (Plant) Rel Props:Source_db:cmaup_ingredients