(1R,13R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-14-one
PubChem CID: 6325011
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 458.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,13R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-14-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.0 |
| Molecular Formula | C16H23NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NKDOONPOQHRNLY-QFXBDKLHSA-N |
| Fcsp3 | 0.8125 |
| Logs | -1.914 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.828 |
| Compound Name | (1R,13R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-14-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 261.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 261.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 261.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0904629999999997 |
| Inchi | InChI=1S/C16H23NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h4,10-11,13-14,18H,2-3,5-9H2,1H3/t10?,11-,13?,14?,16+/m1/s1 |
| Smiles | CC1C[C@]23C4CCCN2CCC=C3[C@H](C1=O)CC4O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Selago (Plant) Rel Props:Source_db:cmaup_ingredients