N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline
Formula:C16H12N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(1,3-oxazol-5-yl)aniline |
| MolecularFormula | C16H12N3OCl |
| Smiles | Clc1ccc(/C=N\Nc(cc2)ccc2-c2cnco2)cc1 |
| InChI | InChI=1S/C16H12ClN3O/c17-14-5-1-12(2-6-14)9-19-20-15-7-3-13(4-8-15)16-10-18-11-21-16/h1-11,20H |
| InChIK | ZHWCQWCRQVJDEF-UHFFFAOYSA-N |
| TotalMolweight | 297.744 |
| Molweight | 297.744 |
| MonoisotopicMass | 297.066889 |
| CLogP | 5.7695 |
| CLogS | -5.112 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.87 |
| Relative PSA | 0.20634 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | 2.0439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| 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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