2-(2-nitrophenoxy)-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
Formula:C19H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-nitrophenoxy)-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-nitrophenoxy)-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide |
| MolecularFormula | C19H20N4O4 |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c(cc1)ccc1N1CCCC1)=O)=O |
| InChI | InChI=1S/C19H20N4O4/c24-19(14-27-18-6-2-1-5-17(18)23(25)26)21-20-13-15-7-9-16(10-8-15)22-11-3-4-12-22/h1-2,5-10,13H,3-4,11-12,14H2,(H,21,24) |
| InChIK | BZYVIEFPVNKCMT-UHFFFAOYSA-N |
| TotalMolweight | 368.392 |
| Molweight | 368.392 |
| MonoisotopicMass | 368.148456 |
| CLogP | 2.3459 |
| CLogS | -4.683 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 286.26 |
| Relative PSA | 0.2794 |
| PolarSurfaceArea | 99.75 |
| Druglikeness | 0.58151 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| 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 | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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