(3Z)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
Formula:C14H10N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one |
| MolecularFormula | C14H10N2O |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1ncccc1 |
| InChI | InChI=1S/C14H10N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-9H,(H,16,17) |
| InChIK | YKQONSWBHGBDSB-UHFFFAOYSA-N |
| TotalMolweight | 222.246 |
| Molweight | 222.246 |
| MonoisotopicMass | 222.079313 |
| CLogP | 1.3188 |
| CLogS | -2.598 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 172.2 |
| Relative PSA | 0.20598 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 2.702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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