N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3-bromoanilino)acetamide
Formula:C23H18N3OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3-bromoanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3-bromoanilino)acetamide |
| MolecularFormula | C23H18N3OBr |
| Smiles | O=C(CNc1cccc(Br)c1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H18BrN3O/c24-18-8-5-9-19(13-18)25-15-23(28)27-26-14-22-20-10-3-1-6-16(20)12-17-7-2-4-11-21(17)22/h1-14,25H,15H2,(H,27,28) |
| InChIK | YKVCAZLHRHRSQG-UHFFFAOYSA-N |
| TotalMolweight | 432.32 |
| Molweight | 432.32 |
| MonoisotopicMass | 431.063323 |
| CLogP | 5.6075 |
| CLogS | -7.589 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 300.04 |
| Relative PSA | 0.15821 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.2401 |
| 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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