2-(2,4-dichlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
Formula:C19H14N4O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,4-dichlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2,4-dichlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H14N4O4Cl2 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\NC(COc(ccc(Cl)c2)c2Cl)=O)ccc1)=O |
| InChI | InChI=1S/C19H14Cl2N4O4/c20-13-3-8-18(17(21)10-13)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 | UCUXTVIIHGKMHD-UHFFFAOYSA-N |
| TotalMolweight | 433.25 |
| Molweight | 433.25 |
| MonoisotopicMass | 432.03921 |
| CLogP | 3.3058 |
| CLogS | -7.77 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 314.22 |
| Relative PSA | 0.2651 |
| PolarSurfaceArea | 101.44 |
| Druglikeness | 0.26806 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| 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-(2,4-dichlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide | 2 - 2-(2,4-dichlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
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