1,5,12,12-Tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID: 5320426
Connections displayed (default: 10).
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| Topological Polar Surface Area | 12.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C15H21N |
| Prediction Swissadme | 0.0 |
| Inchi Key | BGCPDKKBYLHBFS-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -4.736 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.861 |
| Compound Name | 1,5,12,12-Tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 215.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 215.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 215.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1112079999999995 |
| Inchi | InChI=1S/C15H21N/c1-10-5-6-12-13(16-10)9-11-7-8-15(12,4)14(11,2)3/h5-6,11H,7-9H2,1-4H3 |
| Smiles | CC1=NC2=C(C=C1)C3(CCC(C2)C3(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Michelia Lanuginosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients