5-[(E)-2-(4-chloroanilino)ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carbonitrile
Formula:C18H10N3OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-(4-chloroanilino)ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-[(E)-2-(4-chloroanilino)ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carbonitrile |
| MolecularFormula | C18H10N3OCl3 |
| Smiles | N#Cc1c(/C=C/Nc(cc2)ccc2Cl)onc1-c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C18H10Cl3N3O/c19-11-4-6-12(7-5-11)23-9-8-16-13(10-22)18(24-25-16)17-14(20)2-1-3-15(17)21/h1-9,23H |
| InChIK | NFQWQRNWQMLUAI-UHFFFAOYSA-N |
| TotalMolweight | 390.656 |
| Molweight | 390.656 |
| MonoisotopicMass | 388.988943 |
| CLogP | 4.9054 |
| CLogS | -7.578 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 287.16 |
| Relative PSA | 0.17447 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | -2.7509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 5-[(E)-2-(4-chloroanilino)ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carbonitrile | 2 - 5-[(E)-2-(4-chloroanilino)ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carbonitrile
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