5-Methyl-10,12-dihydroindolo[3,2-b][1]benzazepin-11-one
PubChem CID: 10611504
Connections displayed (default: 10).
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| Topological Polar Surface Area | 36.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 396.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-10,12-dihydroindolo[3,2-b][1]benzazepin-11-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C17H14N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QJCXIVBLEONWOC-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.242 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.541 |
| Compound Name | 5-Methyl-10,12-dihydroindolo[3,2-b][1]benzazepin-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.111 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 262.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.232634399999999 |
| Inchi | InChI=1S/C17H14N2O/c1-19-14-9-5-2-6-11(14)10-15(20)16-17(19)12-7-3-4-8-13(12)18-16/h2-9,18H,10H2,1H3 |
| Smiles | CN1C2=CC=CC=C2CC(=O)C3=C1C4=CC=CC=C4N3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Maritima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Erysimum Diffusum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Wisteria Brachybotrys (Plant) Rel Props:Source_db:cmaup_ingredients