N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
Formula:C13H10N2O3BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide |
| MolecularFormula | C13H10N2O3BrCl |
| Smiles | O=C(COc1cc(Cl)ccc1)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C13H10BrClN2O3/c14-12-5-4-11(20-12)7-16-17-13(18)8-19-10-3-1-2-9(15)6-10/h1-7H,8H2,(H,17,18) |
| InChIK | URPSWMZDKXLCRI-UHFFFAOYSA-N |
| TotalMolweight | 357.59 |
| Molweight | 357.59 |
| MonoisotopicMass | 355.956331 |
| CLogP | 3.3938 |
| CLogS | -4.516 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.49 |
| Relative PSA | 0.25639 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 3.1337 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| 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 | 2 |
| StereoCon |
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