2-(4-nitrophenoxy)-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
Formula:C19H19N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-nitrophenoxy)-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-nitrophenoxy)-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide |
| MolecularFormula | C19H19N5O6 |
| Smiles | [O-][N+](c(cc1)ccc1OCC(N/N=C\c(cc(cc1)[N+]([O-])=O)c1N1CCCC1)=O)=O |
| InChI | InChI=1S/C19H19N5O6/c25-19(13-30-17-6-3-15(4-7-17)23(26)27)21-20-12-14-11-16(24(28)29)5-8-18(14)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10,13H2,(H,21,25) |
| InChIK | XWONDGNQAWSBNT-UHFFFAOYSA-N |
| TotalMolweight | 413.389 |
| Molweight | 413.389 |
| MonoisotopicMass | 413.133535 |
| CLogP | 1.4243 |
| CLogS | -5.143 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 309.93 |
| Relative PSA | 0.35621 |
| PolarSurfaceArea | 145.57 |
| Druglikeness | 0.58151 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-nitrophenoxy)-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide | 2 - 2-(4-nitrophenoxy)-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off