3H-benzo[f][2,7]naphthyridin-4-one
Formula:C12H8N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3H-benzo[f][2,7]naphthyridin-4-one is a drug-like molecule.
| MolName | 3H-benzo[f][2,7]naphthyridin-4-one |
| MolecularFormula | C12H8N2O |
| Smiles | O=C1NC=Cc2c1cnc1ccccc12 |
| InChI | InChI=1S/C12H8N2O/c15-12-10-7-14-11-4-2-1-3-9(11)8(10)5-6-13-12/h1-7H,(H,13,15) |
| InChIK | ULIAUQBOGQCMQM-UHFFFAOYSA-N |
| TotalMolweight | 196.209 |
| Molweight | 196.209 |
| MonoisotopicMass | 196.063663 |
| CLogP | 1.4559 |
| CLogS | -3.263 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 148.83 |
| Relative PSA | 0.23833 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 0.85682 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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