2-(2-bromo-4-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Formula:C14H11N3O2BrCl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
2-(2-bromo-4-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide |
| MolecularFormula | C14H11N3O2BrCl |
| Smiles | O=C(COc(ccc(Cl)c1)c1Br)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C14H11BrClN3O2/c15-12-7-10(16)4-5-13(12)21-9-14(20)19-18-8-11-3-1-2-6-17-11/h1-8H,9H2,(H,19,20) |
| InChIK | XKZVTNVUDLPGTJ-UHFFFAOYSA-N |
| TotalMolweight | 368.617 |
| Molweight | 368.617 |
| MonoisotopicMass | 366.972315 |
| CLogP | 3.1608 |
| CLogS | -4.3 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.56 |
| Relative PSA | 0.23395 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.4378 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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