(2R)-9-hydroxy-5-oxo-1,2,3,4-tetrahydro-1-benzazepine-2-carboxamide
PubChem CID: 145970299
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| Compound Synonyms | CHEMBL4218551 |
|---|---|
| Topological Polar Surface Area | 92.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-9-hydroxy-5-oxo-1,2,3,4-tetrahydro-1-benzazepine-2-carboxamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C11H12N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ODYJVCFMZLLCPT-SSDOTTSWSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -3.195 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.612 |
| Compound Name | (2R)-9-hydroxy-5-oxo-1,2,3,4-tetrahydro-1-benzazepine-2-carboxamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 220.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.085 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 220.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1162136 |
| Inchi | InChI=1S/C11H12N2O3/c12-11(16)7-4-5-8(14)6-2-1-3-9(15)10(6)13-7/h1-3,7,13,15H,4-5H2,(H2,12,16)/t7-/m1/s1 |
| Smiles | C1CC(=O)C2=C(C(=CC=C2)O)N[C@H]1C(=O)N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients