(1R,2R,13S,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadeca-8,10-dien-12-one
PubChem CID: 102588705
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 507.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2R,13S,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadeca-8,10-dien-12-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C16H21NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IRBNEBXOQHDOSE-AZKPJATDSA-N |
| Fcsp3 | 0.6875 |
| Logs | -3.713 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.256 |
| Compound Name | (1R,2R,13S,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadeca-8,10-dien-12-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 259.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 259.339 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5819638000000005 |
| Inchi | InChI=1S/C16H21NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h3,5,10-12,19H,2,4,6-9H2,1H3/t10-,11+,12-,16-/m1/s1 |
| Smiles | C[C@@H]1C[C@H]2[C@H]3CCCN4[C@@]3(C1)C(=C(C2=O)O)C=CC4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients