2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
Formula:C19H14N4O4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H14N4O4BrCl |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)ccc1)=O |
| InChI | InChI=1S/C19H14BrClN4O4/c20-17-10-13(21)3-8-18(17)29-12-19(26)23-22-11-16-2-1-9-24(16)14-4-6-15(7-5-14)25(27)28/h1-11H,12H2,(H,23,26) |
| InChIK | DWIKHTSYOXAAGS-UHFFFAOYSA-N |
| TotalMolweight | 477.701 |
| Molweight | 477.701 |
| MonoisotopicMass | 475.988694 |
| CLogP | 3.425 |
| CLogS | -7.868 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 317.43 |
| Relative PSA | 0.26242 |
| PolarSurfaceArea | 101.44 |
| Druglikeness | -1.5219 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide | 2 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
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