8,11-Dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,10(15),11,13-hexaen-2-one
PubChem CID: 44559620
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| Compound Synonyms | CHEMBL508256 |
|---|---|
| Topological Polar Surface Area | 51.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 566.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,11-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,10(15),11,13-hexaen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C16H14N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YUZRNATXDSACLN-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.684 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.074 |
| Compound Name | 8,11-Dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,10(15),11,13-hexaen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.217782371428571 |
| Inchi | InChI=1S/C16H14N2O3/c1-20-11-5-3-4-10-14(11)15-12(21-2)8-17-9-6-7-13(19)18(10)16(9)15/h3-8,15-16H,1-2H3 |
| Smiles | COC1=CC=CC2=C1C3C4N2C(=O)C=CC4=NC=C3OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brucea Antidysenterica (Plant) Rel Props:Source_db:cmaup_ingredients