N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
Formula:C15H12N2O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide |
| MolecularFormula | C15H12N2O2BrCl |
| Smiles | O=C(COc(cc1)ccc1Cl)NN=Cc(cc1)ccc1Br |
| InChI | InChI=1S/C15H12BrClN2O2/c16-12-3-1-11(2-4-12)9-18-19-15(20)10-21-14-7-5-13(17)6-8-14/h1-9H,10H2,(H,19,20) |
| InChIK | DIYXNASSNJVKNY-UHFFFAOYSA-N |
| TotalMolweight | 367.629 |
| Molweight | 367.629 |
| MonoisotopicMass | 365.977066 |
| CLogP | 4.1077 |
| CLogS | -5.071 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 244.8 |
| Relative PSA | 0.18795 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.4378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| 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 | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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