N-[(Z)-anthracen-9-ylmethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Formula:C23H16N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(2,4-dichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C23H16N2O2Cl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H16Cl2N2O2/c24-17-9-10-22(21(25)12-17)29-14-23(28)27-26-13-20-18-7-3-1-5-15(18)11-16-6-2-4-8-19(16)20/h1-13H,14H2,(H,27,28) |
| InChIK | HNGBGIYVOAHBKI-UHFFFAOYSA-N |
| TotalMolweight | 423.298 |
| Molweight | 423.298 |
| MonoisotopicMass | 422.058882 |
| CLogP | 6.3773 |
| CLogS | -8.185 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 310.79 |
| Relative PSA | 0.14804 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.2278 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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