2-(2-bromo-4-chloroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C13H11N3O2BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(2-bromo-4-chloroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-bromo-4-chloroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H11N3O2BrCl |
| Smiles | O=C(CNc(ccc(Cl)c1)c1Br)N/N=C\c1ccco1 |
| InChI | InChI=1S/C13H11BrClN3O2/c14-11-6-9(15)3-4-12(11)16-8-13(19)18-17-7-10-2-1-5-20-10/h1-7,16H,8H2,(H,18,19) |
| InChIK | ZBTIDOOZRHPWBW-UHFFFAOYSA-N |
| TotalMolweight | 356.606 |
| Molweight | 356.606 |
| MonoisotopicMass | 354.972315 |
| CLogP | 3.0134 |
| CLogS | -4.795 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 235.95 |
| Relative PSA | 0.26099 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 3.0831 |
| Mutagenic | high |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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