7,13-Diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4-trien-6-one
PubChem CID: 5316467
Connections displayed (default: 10).
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| Topological Polar Surface Area | 23.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 489.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4-trien-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C15H18N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | POPJONPBVXYYED-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -1.373 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.443 |
| Compound Name | 7,13-Diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4-trien-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.142 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 242.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0065630666666663 |
| Inchi | InChI=1S/C15H18N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,5-7,11,15H,2-4,8-10H2 |
| Smiles | C1CC2CN3C(=O)C=CC=C3C4=CCCN(C24)C1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients