4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione
PubChem CID: 162846113
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.4 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 461.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C13H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GWHIATSUGRFNFZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.672 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.22 |
| Compound Name | 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 227.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 227.058 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 227.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5997107411764704 |
| Inchi | InChI=1S/C13H9NO3/c15-6-7-5-10(16)14-12-11(7)8-3-1-2-4-9(8)13(12)17/h1-5,15H,6H2,(H,14,16) |
| Smiles | C1=CC=C2C(=C1)C3=C(C2=O)NC(=O)C=C3CO |
| 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