N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Formula:C15H10N2O2Cl3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C15H10N2O2Cl3F |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C15H10Cl3FN2O2/c16-9-4-5-14(12(18)6-9)23-8-15(22)21-20-7-10-11(17)2-1-3-13(10)19/h1-7H,8H2,(H,21,22) |
| InChIK | FGFTWVRIPPPOFZ-UHFFFAOYSA-N |
| TotalMolweight | 375.613 |
| Molweight | 375.613 |
| MonoisotopicMass | 373.979187 |
| CLogP | 4.6953 |
| CLogS | -6.023 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 263.36 |
| Relative PSA | 0.1747 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.8878 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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