3,4-dichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline
Formula:C17H17N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3,4-dichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline |
| MolecularFormula | C17H17N3OCl2 |
| Smiles | Clc(ccc(N/N=C\c(cc1)ccc1N1CCOCC1)c1)c1Cl |
| InChI | InChI=1S/C17H17Cl2N3O/c18-16-6-3-14(11-17(16)19)21-20-12-13-1-4-15(5-2-13)22-7-9-23-10-8-22/h1-6,11-12,21H,7-10H2 |
| InChIK | MCMCGAHCSVSWEG-UHFFFAOYSA-N |
| TotalMolweight | 350.248 |
| Molweight | 350.248 |
| MonoisotopicMass | 349.074866 |
| CLogP | 5.7219 |
| CLogS | -4.724 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 261.92 |
| Relative PSA | 0.13943 |
| PolarSurfaceArea | 36.86 |
| Druglikeness | 3.3122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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