N-[(Z)-(4-anilinophenyl)methylideneamino]-4-bromobenzamide
Formula:C20H16N3OBr
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
N-[(Z)-(4-anilinophenyl)methylideneamino]-4-bromobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-anilinophenyl)methylideneamino]-4-bromobenzamide |
| MolecularFormula | C20H16N3OBr |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c(cc1)ccc1Nc1ccccc1 |
| InChI | InChI=1S/C20H16BrN3O/c21-17-10-8-16(9-11-17)20(25)24-22-14-15-6-12-19(13-7-15)23-18-4-2-1-3-5-18/h1-14,23H,(H,24,25) |
| InChIK | MUZMZRTXOHHVRS-UHFFFAOYSA-N |
| TotalMolweight | 394.271 |
| Molweight | 394.271 |
| MonoisotopicMass | 393.047673 |
| CLogP | 5.4572 |
| CLogS | -6.133 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 276.84 |
| Relative PSA | 0.17147 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 2.8052 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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