(1R,3R,9S,12R,14S)-3-hydroxy-5-methyl-5-azatetracyclo[10.4.1.01,9.09,14]heptadecane-10,16-dione
PubChem CID: 102443802
Connections displayed (default: 10).
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| Topological Polar Surface Area | 57.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,3R,9S,12R,14S)-3-hydroxy-5-methyl-5-azatetracyclo[10.4.1.01,9.09,14]heptadecane-10,16-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C17H25NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QVFWULSBDNLHNA-LVSLPLRBSA-N |
| Fcsp3 | 0.8823529411764706 |
| Logs | -2.733 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.63 |
| Compound Name | (1R,3R,9S,12R,14S)-3-hydroxy-5-methyl-5-azatetracyclo[10.4.1.01,9.09,14]heptadecane-10,16-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 291.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 291.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 291.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8356242 |
| Inchi | InChI=1S/C17H25NO3/c1-18-4-2-3-17-12-5-11(6-15(17)21)8-16(17,14(20)7-12)9-13(19)10-18/h11-13,19H,2-10H2,1H3/t11-,12-,13+,16-,17+/m0/s1 |
| Smiles | CN1CCC[C@@]23[C@H]4C[C@@H](CC2=O)C[C@]3(C[C@H](C1)O)C(=O)C4 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients