N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2,4-dichlorophenoxy)butanamide
Formula:C18H16N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2,4-dichlorophenoxy)butanamide is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2,4-dichlorophenoxy)butanamide |
| MolecularFormula | C18H16N2O4Cl2 |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C18H16Cl2N2O4/c19-13-4-6-15(14(20)9-13)24-7-1-2-18(23)22-21-10-12-3-5-16-17(8-12)26-11-25-16/h3-6,8-10H,1-2,7,11H2,(H,22,23) |
| InChIK | REYWRLHKDJURKH-UHFFFAOYSA-N |
| TotalMolweight | 395.241 |
| Molweight | 395.241 |
| MonoisotopicMass | 394.048712 |
| CLogP | 5.0087 |
| CLogS | -6.224 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.37 |
| Relative PSA | 0.22812 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 0.060771 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| StereoCon |
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