N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
Formula:C19H12N2O3Br3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide |
| MolecularFormula | C19H12N2O3Br3Cl |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c1ccc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C19H12Br3ClN2O3/c20-12-7-15(21)19(16(22)8-12)27-10-18(26)25-24-9-14-5-6-17(28-14)11-1-3-13(23)4-2-11/h1-9H,10H2,(H,25,26) |
| InChIK | PSOWLVBHRYKPEX-UHFFFAOYSA-N |
| TotalMolweight | 591.48 |
| Molweight | 591.48 |
| MonoisotopicMass | 587.808653 |
| CLogP | 6.497 |
| CLogS | -8.199 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 331.51 |
| Relative PSA | 0.18135 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 4.6437 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.67857 |
| 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 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide | 2 - N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
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