3-(2,6-dichlorophenyl)-5-[(E)-2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile
Formula:C24H15N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2,6-dichlorophenyl)-5-[(E)-2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile is not a drug-like molecule.
| MolName | 3-(2,6-dichlorophenyl)-5-[(E)-2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile |
| MolecularFormula | C24H15N3OCl2 |
| Smiles | N#Cc1c(/C=C/Nc(cccc2)c2-c2ccccc2)onc1-c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C24H15Cl2N3O/c25-19-10-6-11-20(26)23(19)24-18(15-27)22(30-29-24)13-14-28-21-12-5-4-9-17(21)16-7-2-1-3-8-16/h1-14,28H |
| InChIK | FVARQXMNMCDWDV-UHFFFAOYSA-N |
| TotalMolweight | 432.309 |
| Molweight | 432.309 |
| MonoisotopicMass | 431.059216 |
| CLogP | 5.9586 |
| CLogS | -8.928 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 331.5 |
| Relative PSA | 0.15113 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | -2.7509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-(2,6-dichlorophenyl)-5-[(E)-2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile | 2 - 3-(2,6-dichlorophenyl)-5-[(E)-2-(2-phenylanilino)ethenyl]-1,2-oxazole-4-carbonitrile
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