9,15-Dihydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
PubChem CID: 5316791
Connections displayed (default: 10).
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| Topological Polar Surface Area | 64.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,15-dihydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C15H24N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BYQQDLUCCAZYJO-UHFFFAOYSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -1.659 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.458 |
| Compound Name | 9,15-Dihydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.179 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 280.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2947815999999996 |
| Inchi | InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2 |
| Smiles | C1CC2C3CC(CN4C3C(CCC4)(CN2C(=O)C1)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pulsatilla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sigesbeckia Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients