8,16-Dimethoxy-4,13-dioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),2,5,7,10,15-hexaene
PubChem CID: 162877064
Connections displayed (default: 10).
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| Topological Polar Surface Area | 53.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,16-dimethoxy-4,13-dioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),2,5,7,10,15-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C15H13NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HUIORUKWHAETHC-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.575 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.855 |
| Compound Name | 8,16-Dimethoxy-4,13-dioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),2,5,7,10,15-hexaene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 271.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 271.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1875863999999994 |
| Inchi | InChI=1S/C15H13NO4/c1-17-13-9-3-4-20-15(9)16-12-10(13)5-8-6-19-7-11(8)14(12)18-2/h3-5H,6-7H2,1-2H3 |
| Smiles | COC1=C2COCC2=CC3=C1N=C4C(=C3OC)C=CO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aeollanthus Buchnerianus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cynoglossum Viridiflorum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Echium Plantagineum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Helianthus Niveus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Hernandia Sonora (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Leptospermum Recurvum (Plant) Rel Props:Source_db:cmaup_ingredients