2-(2-nitrophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
Formula:C19H15N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-nitrophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2-nitrophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H15N5O6 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\NC(COc(cccc2)c2[N+]([O-])=O)=O)ccc1)=O |
| InChI | InChI=1S/C19H15N5O6/c25-19(13-30-18-6-2-1-5-17(18)24(28)29)21-20-12-16-4-3-11-22(16)14-7-9-15(10-8-14)23(26)27/h1-12H,13H2,(H,21,25) |
| InChIK | SKKDAEPXVZHNIS-UHFFFAOYSA-N |
| TotalMolweight | 409.357 |
| Molweight | 409.357 |
| MonoisotopicMass | 409.102235 |
| CLogP | 1.1722 |
| CLogS | -6.758 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 307.05 |
| Relative PSA | 0.37036 |
| PolarSurfaceArea | 147.26 |
| Druglikeness | 0.22333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-(2-nitrophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide | 2 - 2-(2-nitrophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
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