N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Formula:C24H19N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C24H19N3O2Cl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C24H19Cl2N3O2/c25-19-10-11-23(21(26)12-19)31-16-24(30)28-27-13-18-15-29(14-17-6-2-1-3-7-17)22-9-5-4-8-20(18)22/h1-13,15H,14,16H2,(H,28,30) |
| InChIK | ALXDIIZQXXXWLV-UHFFFAOYSA-N |
| TotalMolweight | 452.34 |
| Molweight | 452.34 |
| MonoisotopicMass | 451.085431 |
| CLogP | 5.5182 |
| CLogS | -5.951 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 338.91 |
| Relative PSA | 0.15603 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 5.9585 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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