4-methyl-1H-indeno[2,1-b]pyridine-2,9-dione
PubChem CID: 163063015
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-1H-indeno[2,1-b]pyridine-2,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C13H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZXGRSTTUBXHJGA-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -4.343 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.006 |
| Compound Name | 4-methyl-1H-indeno[2,1-b]pyridine-2,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 211.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 211.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3866639999999997 |
| Inchi | InChI=1S/C13H9NO2/c1-7-6-10(15)14-12-11(7)8-4-2-3-5-9(8)13(12)16/h2-6H,1H3,(H,14,15) |
| Smiles | CC1=CC(=O)NC2=C1C3=CC=CC=C3C2=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Source_db:cmaup_ingredients