N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
Formula:C18H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide |
| MolecularFormula | C18H16N4O5 |
| Smiles | [O-][N+](c(cc1)c(/C=N\NC(C(C(CN2)c3ccccc3)C2=O)=O)cc1O)=O |
| InChI | InChI=1S/C18H16N4O5/c23-13-6-7-15(22(26)27)12(8-13)9-20-21-18(25)16-14(10-19-17(16)24)11-4-2-1-3-5-11/h1-9,14,16,23H,10H2,(H,19,24)(H,21,25) |
| InChIK | SYSWOWJNJHQMQK-UHFFFAOYSA-N |
| TotalMolweight | 368.348 |
| Molweight | 368.348 |
| MonoisotopicMass | 368.112071 |
| CLogP | 1.3633 |
| CLogS | -3.961 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 271.48 |
| Relative PSA | 0.3832 |
| PolarSurfaceArea | 136.61 |
| Druglikeness | 1.8034 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide | 2 - N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off