5-[(E)-2-(4-chloroanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile
Formula:C18H12N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-(4-chloroanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-[(E)-2-(4-chloroanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile |
| MolecularFormula | C18H12N3OCl |
| Smiles | N#Cc1c(/C=C/Nc(cc2)ccc2Cl)onc1-c1ccccc1 |
| InChI | InChI=1S/C18H12ClN3O/c19-14-6-8-15(9-7-14)21-11-10-17-16(12-20)18(22-23-17)13-4-2-1-3-5-13/h1-11,21H |
| InChIK | YFESDTRHPLIIEN-UHFFFAOYSA-N |
| TotalMolweight | 321.766 |
| Molweight | 321.766 |
| MonoisotopicMass | 321.066889 |
| CLogP | 3.6934 |
| CLogS | -6.106 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.32 |
| Relative PSA | 0.19546 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | -2.7509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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