(4S)-6,7-dibromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID: 10448074
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| Topological Polar Surface Area | 54.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 239.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4S)-6,7-dibromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C7H6Br2N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NUVAABCZBKHWMX-YFKPBYRVSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -1.499 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.925 |
| Compound Name | (4S)-6,7-dibromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 309.878 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.88 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 309.94 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7644743846153843 |
| Inchi | InChI=1S/C7H6Br2N2O2/c8-3-1-4-7(13)10-2-5(12)11(4)6(3)9/h1,5,12H,2H2,(H,10,13)/t5-/m0/s1 |
| Smiles | C1[C@@H](N2C(=CC(=C2Br)Br)C(=O)N1)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Constricta (Plant) Rel Props:Source_db:cmaup_ingredients