13,15-Dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
PubChem CID: 5317966
Connections displayed (default: 10).
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| Topological Polar Surface Area | 47.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 426.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BXABBTKWRFXWJL-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -7.052 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.089 |
| Compound Name | 13,15-Dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 279.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.434062333333333 |
| Inchi | InChI=1S/C17H13NO3/c1-20-12-8-13(21-2)16-15-11(18-17(16)19)7-9-5-3-4-6-10(9)14(12)15/h3-8H,1-2H3,(H,18,19) |
| Smiles | COC1=CC(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Griffithii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hura Crepitans (Plant) Rel Props:Source_db:cmaup_ingredients