2-(4-chlorophenoxy)-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]acetamide
Formula:C19H19N4O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H19N4O5Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC(COc(cc1)ccc1Cl)=O)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C19H19ClN4O5/c20-15-2-4-16(5-3-15)29-13-19(25)22-21-12-14-1-6-17(18(11-14)24(26)27)23-7-9-28-10-8-23/h1-6,11-12H,7-10,13H2,(H,22,25) |
| InChIK | PJGFXTJRXWZCLQ-UHFFFAOYSA-N |
| TotalMolweight | 418.836 |
| Molweight | 418.836 |
| MonoisotopicMass | 418.104398 |
| CLogP | 2.1299 |
| CLogS | -4.8 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 311.68 |
| Relative PSA | 0.28869 |
| PolarSurfaceArea | 108.98 |
| Druglikeness | 0.19125 |
| 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 | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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