8,9-Dihydroxy-5,6-dihydropyrrolo[1,2-c][3]benzazepin-11-one
PubChem CID: 145980498
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| Compound Synonyms | CHEMBL4278471 |
|---|---|
| Topological Polar Surface Area | 62.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,9-dihydroxy-5,6-dihydropyrrolo[1,2-c][3]benzazepin-11-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C13H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | URCOXKJFJBROIA-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -1.597 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.169 |
| Compound Name | 8,9-Dihydroxy-5,6-dihydropyrrolo[1,2-c][3]benzazepin-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 229.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 229.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 229.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8047805294117647 |
| Inchi | InChI=1S/C13H11NO3/c15-11-6-8-3-5-14-4-1-2-10(14)13(17)9(8)7-12(11)16/h1-2,4,6-7,15-16H,3,5H2 |
| Smiles | C1CN2C=CC=C2C(=O)C3=CC(=C(C=C31)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