(4Z)-2-[2-(4-chlorophenoxy)pyridin-3-yl]-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
Formula:C21H12N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-[2-(4-chlorophenoxy)pyridin-3-yl]-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-[2-(4-chlorophenoxy)pyridin-3-yl]-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C21H12N2O3Cl2 |
| Smiles | O=C1OC(c2cccnc2Oc(cc2)ccc2Cl)=N/C1=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H12Cl2N2O3/c22-14-5-3-13(4-6-14)12-18-21(26)28-20(25-18)17-2-1-11-24-19(17)27-16-9-7-15(23)8-10-16/h1-12H |
| InChIK | UVAJYNRWLSWIRH-UHFFFAOYSA-N |
| TotalMolweight | 411.243 |
| Molweight | 411.243 |
| MonoisotopicMass | 410.022497 |
| CLogP | 4.5499 |
| CLogS | -7.418 |
| H Acceptors | 5 |
| TotalSurfaceArea | 294.31 |
| Relative PSA | 0.18864 |
| PolarSurfaceArea | 60.78 |
| Druglikeness | 0.9311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4Z)-2-[2-(4-chlorophenoxy)pyridin-3-yl]-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-[2-(4-chlorophenoxy)pyridin-3-yl]-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
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