(2Z)-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one
Formula:C14H9NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one is a drug-like molecule.
| MolName | (2Z)-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one |
| MolecularFormula | C14H9NO2 |
| Smiles | O=C1c(cccc2)c2O/C1=C\c1cnccc1 |
| InChI | InChI=1S/C14H9NO2/c16-14-11-5-1-2-6-12(11)17-13(14)8-10-4-3-7-15-9-10/h1-9H |
| InChIK | QOGATBHPUPKBAD-UHFFFAOYSA-N |
| TotalMolweight | 223.23 |
| Molweight | 223.23 |
| MonoisotopicMass | 223.063329 |
| CLogP | 2.3177 |
| CLogS | -3.347 |
| H Acceptors | 3 |
| TotalSurfaceArea | 170.74 |
| Relative PSA | 0.19919 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | 0.20164 |
| 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 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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