N-[(Z)-[4-(4-nitrophenoxy)phenyl]methylideneamino]-2-pyrrolidin-1-ylacetamide
Formula:C19H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(4-nitrophenoxy)phenyl]methylideneamino]-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(4-nitrophenoxy)phenyl]methylideneamino]-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C19H20N4O4 |
| Smiles | [O-][N+](c(cc1)ccc1Oc1ccc(/C=N\NC(CN2CCCC2)=O)cc1)=O |
| InChI | InChI=1S/C19H20N4O4/c24-19(14-22-11-1-2-12-22)21-20-13-15-3-7-17(8-4-15)27-18-9-5-16(6-10-18)23(25)26/h3-10,13H,1-2,11-12,14H2,(H,21,24) |
| InChIK | DKYCYGOPZLXJKR-UHFFFAOYSA-N |
| TotalMolweight | 368.392 |
| Molweight | 368.392 |
| MonoisotopicMass | 368.148456 |
| CLogP | 1.3898 |
| CLogS | -5.117 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 286.26 |
| Relative PSA | 0.2794 |
| PolarSurfaceArea | 99.75 |
| Druglikeness | 1.1067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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