10-Oxa-8,19-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,12(20),13,15,17-octaen-9-one
PubChem CID: 10778696
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| Compound Synonyms | CHEMBL491530 |
|---|---|
| Topological Polar Surface Area | 44.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 454.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-oxa-8,19-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,12(20),13,15,17-octaen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H10N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SFDUUZHSAMFNFS-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -5.692 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.276 |
| Compound Name | 10-Oxa-8,19-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,12(20),13,15,17-octaen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 274.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.376077419047618 |
| Inchi | InChI=1S/C17H10N2O2/c20-17-19-14-8-4-2-6-11(14)15-16(19)12(9-21-17)10-5-1-3-7-13(10)18-15/h1-8H,9H2 |
| Smiles | C1C2=C3C(=NC4=CC=CC=C24)C5=CC=CC=C5N3C(=O)O1 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients