N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
Formula:C24H18N3O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide |
| MolecularFormula | C24H18N3O2Cl3 |
| Smiles | O=C(COc(c(Cl)cc(Cl)c1)c1Cl)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C24H18Cl3N3O2/c25-18-10-20(26)24(21(27)11-18)32-15-23(31)29-28-12-17-14-30(13-16-6-2-1-3-7-16)22-9-5-4-8-19(17)22/h1-12,14H,13,15H2,(H,29,31) |
| InChIK | ZDSMPVZQHOVFNQ-UHFFFAOYSA-N |
| TotalMolweight | 486.785 |
| Molweight | 486.785 |
| MonoisotopicMass | 485.046458 |
| CLogP | 6.1242 |
| CLogS | -6.687 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 354.33 |
| Relative PSA | 0.14924 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 5.9585 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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