N-[(Z)-benzylideneamino]-2-(2-bromo-4-chloroanilino)acetamide
Formula:C15H13N3OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-(2-bromo-4-chloroanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(2-bromo-4-chloroanilino)acetamide |
| MolecularFormula | C15H13N3OBrCl |
| Smiles | O=C(CNc(ccc(Cl)c1)c1Br)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H13BrClN3O/c16-13-8-12(17)6-7-14(13)18-10-15(21)20-19-9-11-4-2-1-3-5-11/h1-9,18H,10H2,(H,20,21) |
| InChIK | ILUDXYCVWISRCD-UHFFFAOYSA-N |
| TotalMolweight | 366.645 |
| Molweight | 366.645 |
| MonoisotopicMass | 364.99305 |
| CLogP | 3.8247 |
| CLogS | -5.113 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 246.26 |
| Relative PSA | 0.19276 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.2557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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