(1R,9S,10R,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
PubChem CID: 162882355
Connections displayed (default: 10).
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| Topological Polar Surface Area | 16.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,9S,10R,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene |
| Prediction Hob | 0.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H24N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACTWVCSRWJSTOF-UMPJEAMMSA-N |
| Fcsp3 | 0.7058823529411765 |
| Logs | -3.181 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.036 |
| Compound Name | (1R,9S,10R,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.194 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 256.399 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6037208105263154 |
| Inchi | InChI=1S/C17H24N2/c1-12-9-13-10-16-15(5-3-7-18-16)17(11-12)14(13)6-4-8-19(17)2/h3,5,7,12-14H,4,6,8-11H2,1-2H3/t12-,13+,14-,17-/m1/s1 |
| Smiles | C[C@@H]1C[C@H]2CC3=C(C=CC=N3)[C@@]4(C1)[C@@H]2CCCN4C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Chasmanthum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gaillardia Pulchella (Plant) Rel Props:Source_db:cmaup_ingredients