2-(3-chlorophenoxy)-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
Formula:C19H19N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-chlorophenoxy)-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-chlorophenoxy)-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide |
| MolecularFormula | C19H19N4O4Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(COc2cccc(Cl)c2)=O)c1N1CCCC1)=O |
| InChI | InChI=1S/C19H19ClN4O4/c20-15-4-3-5-17(11-15)28-13-19(25)22-21-12-14-10-16(24(26)27)6-7-18(14)23-8-1-2-9-23/h3-7,10-12H,1-2,8-9,13H2,(H,22,25) |
| InChIK | XFLAZZNKEPGGLS-UHFFFAOYSA-N |
| TotalMolweight | 402.837 |
| Molweight | 402.837 |
| MonoisotopicMass | 402.109483 |
| CLogP | 2.9519 |
| CLogS | -5.419 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 301.68 |
| Relative PSA | 0.26512 |
| PolarSurfaceArea | 99.75 |
| Druglikeness | 0.61425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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