15-Hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
PubChem CID: 5318343
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 43.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 471.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C15H20N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZOODLPNNEYPMNC-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.299 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.965 |
| Compound Name | 15-Hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.152 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 260.329 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7398736105263155 |
| Inchi | InChI=1S/C15H20N2O2/c18-11-7-12-13-4-1-5-14(19)17(13)8-10-3-2-6-16(9-11)15(10)12/h1,4-5,10-12,15,18H,2-3,6-9H2 |
| Smiles | C1CC2CN3C(=O)C=CC=C3C4C2N(C1)CC(C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Dulcamara (Plant) Rel Props:Source_db:cmaup_ingredients