14,16-Dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
PubChem CID: 5319710
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 | 0.0 |
| Iupac Name | 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-UHFFFAOYSA-N |
| Fcsp3 | 0.7058823529411765 |
| Logs | -3.238 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.769 |
| Compound Name | 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 |
| Smiles | CC1CC2CC3=C(C=CC=N3)C4(C1)C2CCCN4C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Excelsum (Plant) Rel Props:Source_db:cmaup_ingredients