2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H12N2O3BrCl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H12N2O3BrCl3 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Br)N/N=C\c1ccc(-c(cccc2Cl)c2Cl)o1 |
| InChI | InChI=1S/C19H12BrCl3N2O3/c20-14-8-11(21)4-6-17(14)27-10-18(26)25-24-9-12-5-7-16(28-12)13-2-1-3-15(22)19(13)23/h1-9H,10H2,(H,25,26) |
| InChIK | BHDCJXODRCGTLJ-UHFFFAOYSA-N |
| TotalMolweight | 502.578 |
| Molweight | 502.578 |
| MonoisotopicMass | 499.909685 |
| CLogP | 6.2586 |
| CLogS | -8.003 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 325.09 |
| Relative PSA | 0.18493 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 4.6437 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
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