3,4-dichloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]aniline
Formula:C14H10N2OCl2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3,4-dichloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]aniline |
| MolecularFormula | C14H10N2OCl2F2 |
| Smiles | FC(Oc1ccc(/C=N\Nc(cc2)cc(Cl)c2Cl)cc1)F |
| InChI | InChI=1S/C14H10Cl2F2N2O/c15-12-6-3-10(7-13(12)16)20-19-8-9-1-4-11(5-2-9)21-14(17)18/h1-8,14,20H |
| InChIK | DPMAGFXZCLZZFJ-UHFFFAOYSA-N |
| TotalMolweight | 331.148 |
| Molweight | 331.148 |
| MonoisotopicMass | 330.013823 |
| CLogP | 6.2223 |
| CLogS | -5.243 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 235.28 |
| Relative PSA | 0.14013 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -0.68046 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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