2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
Formula:C19H14N5O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H14N5O6Cl |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\NC(COc(ccc(Cl)c2)c2[N+]([O-])=O)=O)ccc1)=O |
| InChI | InChI=1S/C19H14ClN5O6/c20-13-3-8-18(17(10-13)25(29)30)31-12-19(26)22-21-11-16-2-1-9-23(16)14-4-6-15(7-5-14)24(27)28/h1-11H,12H2,(H,22,26) |
| InChIK | GJERICSTBCAHBW-UHFFFAOYSA-N |
| TotalMolweight | 443.802 |
| Molweight | 443.802 |
| MonoisotopicMass | 443.063262 |
| CLogP | 1.7782 |
| CLogS | -7.494 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 322.47 |
| Relative PSA | 0.35265 |
| PolarSurfaceArea | 147.26 |
| Druglikeness | 0.26806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| 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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