N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-chlorophenyl)acetamide
Formula:C15H12N2OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-chlorophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-chlorophenyl)acetamide |
| MolecularFormula | C15H12N2OBrCl |
| Smiles | O=C(Cc(cc1)ccc1Cl)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C15H12BrClN2O/c16-13-3-1-2-12(8-13)10-18-19-15(20)9-11-4-6-14(17)7-5-11/h1-8,10H,9H2,(H,19,20) |
| InChIK | OAMKMYZZFMHWEW-UHFFFAOYSA-N |
| TotalMolweight | 351.63 |
| Molweight | 351.63 |
| MonoisotopicMass | 349.982151 |
| CLogP | 4.5309 |
| CLogS | -5.256 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 234.8 |
| Relative PSA | 0.15336 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.6005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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