(10bS)-8,9-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
PubChem CID: 11160309
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| Compound Synonyms | CHEMBL4285994 |
|---|---|
| Topological Polar Surface Area | 60.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (10bS)-8,9-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C12H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LJIDRFNRDLYHNC-VIFPVBQESA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -1.719 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.851 |
| Compound Name | (10bS)-8,9-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 219.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 219.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 219.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.879988 |
| Inchi | InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2/t9-/m0/s1 |
| Smiles | C1CC(=O)N2[C@@H]1C3=CC(=C(C=C3CC2)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients