(4E)-2-(2,5-dichlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
Formula:C15H8N2O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(4E)-2-(2,5-dichlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(2,5-dichlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C15H8N2O2Cl2 |
| Smiles | O=C1OC(c(cc(cc2)Cl)c2Cl)=N/C1=C/c1cnccc1 |
| InChI | InChI=1S/C15H8Cl2N2O2/c16-10-3-4-12(17)11(7-10)14-19-13(15(20)21-14)6-9-2-1-5-18-8-9/h1-8H |
| InChIK | DEYFYMTZECPLRC-UHFFFAOYSA-N |
| TotalMolweight | 319.147 |
| Molweight | 319.147 |
| MonoisotopicMass | 317.996282 |
| CLogP | 2.8029 |
| CLogS | -4.596 |
| H Acceptors | 4 |
| TotalSurfaceArea | 224.55 |
| Relative PSA | 0.20272 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | 0.9311 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4E)-2-(2,5-dichlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one | 2 - (4E)-2-(2,5-dichlorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
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