(3E)-5-(4-chlorophenyl)-3-(pyridin-2-ylmethylidene)furan-2-one
Formula:C16H10NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-5-(4-chlorophenyl)-3-(pyridin-2-ylmethylidene)furan-2-one is a drug-like molecule.
| MolName | (3E)-5-(4-chlorophenyl)-3-(pyridin-2-ylmethylidene)furan-2-one |
| MolecularFormula | C16H10NO2Cl |
| Smiles | O=C1OC(c(cc2)ccc2Cl)=C/C1=C\c1ncccc1 |
| InChI | InChI=1S/C16H10ClNO2/c17-13-6-4-11(5-7-13)15-10-12(16(19)20-15)9-14-3-1-2-8-18-14/h1-10H |
| InChIK | XXKKFKBURKWJNQ-UHFFFAOYSA-N |
| TotalMolweight | 283.713 |
| Molweight | 283.713 |
| MonoisotopicMass | 283.040006 |
| CLogP | 3.0823 |
| CLogS | -3.642 |
| H Acceptors | 3 |
| TotalSurfaceArea | 210.87 |
| Relative PSA | 0.16128 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | 0.15126 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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