(8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one
PubChem CID: 86302612
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| Compound Synonyms | CHEMBL3235601, BDBM50008517 |
|---|---|
| Topological Polar Surface Area | 29.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 655.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P18031 |
| Iupac Name | (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one |
| Prediction Hob | 1.0 |
| Target Id | NPT178 |
| Xlogp | 2.5 |
| Molecular Formula | C19H25NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZLLJDNGQDGFFLK-IBGZPJMESA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -5.377 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.021 |
| Compound Name | (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 283.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 283.194 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 283.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.106173 |
| Inchi | InChI=1S/C19H25NO/c1-11(2)13-7-14-17-12(3)8-18(4,5)20-15(17)9-19(14,6)10-16(13)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1 |
| Smiles | CC1=CC(N=C2C1=C3C=C(C(=O)C[C@@]3(C2)C)C(C)C)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nigella Glandulifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all