(2E)-5-chloro-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one
Formula:C14H8NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2E)-5-chloro-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one is a drug-like molecule.
| MolName | (2E)-5-chloro-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one |
| MolecularFormula | C14H8NO2Cl |
| Smiles | O=C1c(cc(cc2)Cl)c2O/C1=C/c1cnccc1 |
| InChI | InChI=1S/C14H8ClNO2/c15-10-3-4-12-11(7-10)14(17)13(18-12)6-9-2-1-5-16-8-9/h1-8H |
| InChIK | STCIJYQIVUJARO-UHFFFAOYSA-N |
| TotalMolweight | 257.676 |
| Molweight | 257.676 |
| MonoisotopicMass | 257.024356 |
| CLogP | 2.9237 |
| CLogS | -4.083 |
| H Acceptors | 3 |
| TotalSurfaceArea | 186.16 |
| Relative PSA | 0.18269 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | 0.2996 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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