12,14-Dimethyl-3,14-diazatetracyclo[7.4.4.01,10.02,7]heptadeca-2(7),5,11-trien-4-one
PubChem CID: 6325665
Connections displayed (default: 10).
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| Topological Polar Surface Area | 32.299 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 572.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12,14-dimethyl-3,14-diazatetracyclo[7.4.4.01,10.02,7]heptadeca-2(7),5,11-trien-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C17H22N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQQMMSOXSDUNNH-UHFFFAOYSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -2.406 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.29 |
| Compound Name | 12,14-Dimethyl-3,14-diazatetracyclo[7.4.4.01,10.02,7]heptadeca-2(7),5,11-trien-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 270.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1243312000000003 |
| Inchi | InChI=1S/C17H22N2O/c1-11-8-14-12-4-3-7-19(2)17(14,10-11)16-13(9-12)5-6-15(20)18-16/h5-6,8,12,14H,3-4,7,9-10H2,1-2H3,(H,18,20) |
| Smiles | CC1=CC2C3CCCN(C2(C1)C4=C(C3)C=CC(=O)N4)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients