N-[(Z)-anthracen-9-ylmethylideneamino]-2-(2-chloroanilino)acetamide
Formula:C23H18N3OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(2-chloroanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(2-chloroanilino)acetamide |
| MolecularFormula | C23H18N3OCl |
| Smiles | O=C(CNc(cccc1)c1Cl)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H18ClN3O/c24-21-11-5-6-12-22(21)25-15-23(28)27-26-14-20-18-9-3-1-7-16(18)13-17-8-2-4-10-19(17)20/h1-14,25H,15H2,(H,27,28) |
| InChIK | LRDPJTJPKYZRRR-UHFFFAOYSA-N |
| TotalMolweight | 387.869 |
| Molweight | 387.869 |
| MonoisotopicMass | 387.113839 |
| CLogP | 5.4883 |
| CLogS | -7.491 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 296.83 |
| Relative PSA | 0.15992 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 5.0457 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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