4-Methylindeno[2,1-b]pyridin-9-one
PubChem CID: 14626439
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL181946, SCHEMBL23235907 |
|---|---|
| Topological Polar Surface Area | 30.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 276.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 4-methylindeno[2,1-b]pyridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C13H9NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | YDCSRSRWPHXQLV-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -4.465 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.435 |
| Compound Name | 4-Methylindeno[2,1-b]pyridin-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 195.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 195.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 195.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3370702 |
| Inchi | InChI=1S/C13H9NO/c1-8-6-7-14-12-11(8)9-4-2-3-5-10(9)13(12)15/h2-7H,1H3 |
| Smiles | CC1=C2C3=CC=CC=C3C(=O)C2=NC=C1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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