(E)-3-(2,4-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine
Formula:C19H18N2OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine |
| MolecularFormula | C19H18N2OCl2 |
| Smiles | Clc1cc(Cl)c(/C=C/C=N/c(cc2)ccc2N2CCOCC2)cc1 |
| InChI | InChI=1S/C19H18Cl2N2O/c20-16-4-3-15(19(21)14-16)2-1-9-22-17-5-7-18(8-6-17)23-10-12-24-13-11-23/h1-9,14H,10-13H2 |
| InChIK | WEPFIVSGGSPSLH-UHFFFAOYSA-N |
| TotalMolweight | 361.271 |
| Molweight | 361.271 |
| MonoisotopicMass | 360.079617 |
| CLogP | 3.9327 |
| CLogS | -5.025 |
| H Acceptors | 3 |
| TotalSurfaceArea | 276.96 |
| Relative PSA | 0.090482 |
| PolarSurfaceArea | 24.83 |
| Druglikeness | 1.7285 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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