N-[(Z)-1-(4-chlorophenyl)-3-phenyliminoprop-1-enyl]aniline
Formula:C21H17N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1-(4-chlorophenyl)-3-phenyliminoprop-1-enyl]aniline is a drug-like molecule.
| MolName | N-[(Z)-1-(4-chlorophenyl)-3-phenyliminoprop-1-enyl]aniline |
| MolecularFormula | C21H17N2Cl |
| Smiles | Clc(cc1)ccc1/C(/Nc1ccccc1)=C/C=N\c1ccccc1 |
| InChI | InChI=1S/C21H17ClN2/c22-18-13-11-17(12-14-18)21(24-20-9-5-2-6-10-20)15-16-23-19-7-3-1-4-8-19/h1-16,24H |
| InChIK | FJPDRAYNJSZFON-UHFFFAOYSA-N |
| TotalMolweight | 332.833 |
| Molweight | 332.833 |
| MonoisotopicMass | 332.108025 |
| CLogP | 4.615 |
| CLogS | -5.218 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 269.13 |
| Relative PSA | 0.085349 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.1572 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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