N-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
Formula:C19H19N4O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide |
| MolecularFormula | C19H19N4O5Cl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1Oc1ccc(/C=N\NC(CN2CCOCC2)=O)cc1)=O |
| InChI | InChI=1S/C19H19ClN4O5/c20-17-11-15(24(26)27)3-6-18(17)29-16-4-1-14(2-5-16)12-21-22-19(25)13-23-7-9-28-10-8-23/h1-6,11-12H,7-10,13H2,(H,22,25) |
| InChIK | VYSJGNNRYCRRJU-UHFFFAOYSA-N |
| TotalMolweight | 418.836 |
| Molweight | 418.836 |
| MonoisotopicMass | 418.104398 |
| CLogP | 1.1738 |
| CLogS | -5.234 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 311.68 |
| Relative PSA | 0.28869 |
| PolarSurfaceArea | 108.98 |
| Druglikeness | 0.37921 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| 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 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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