3,4-dichloro-N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline
Formula:C19H13N2OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3,4-dichloro-N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline |
| MolecularFormula | C19H13N2OCl3 |
| Smiles | Clc(cc1)ccc1Oc1cccc(/C=N\Nc(cc2)cc(Cl)c2Cl)c1 |
| InChI | InChI=1S/C19H13Cl3N2O/c20-14-4-7-16(8-5-14)25-17-3-1-2-13(10-17)12-23-24-15-6-9-18(21)19(22)11-15/h1-12,24H |
| InChIK | HWZKSCKZYHEMBY-UHFFFAOYSA-N |
| TotalMolweight | 391.684 |
| Molweight | 391.684 |
| MonoisotopicMass | 390.009344 |
| CLogP | 8.0545 |
| CLogS | -7.654 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 285.26 |
| Relative PSA | 0.11558 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | 2.0392 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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