N-[(Z)-(4-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
Formula:C18H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide |
| MolecularFormula | C18H16N4O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc(N(CCC3)C3=O)ccc2)=O)cc1)=O |
| InChI | InChI=1S/C18H16N4O4/c23-17-5-2-10-21(17)16-4-1-3-14(11-16)18(24)20-19-12-13-6-8-15(9-7-13)22(25)26/h1,3-4,6-9,11-12H,2,5,10H2,(H,20,24) |
| InChIK | YVANSJNWVOOCFX-UHFFFAOYSA-N |
| TotalMolweight | 352.349 |
| Molweight | 352.349 |
| MonoisotopicMass | 352.117156 |
| CLogP | 2.2048 |
| CLogS | -4.885 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 266.49 |
| Relative PSA | 0.31153 |
| PolarSurfaceArea | 107.59 |
| Druglikeness | 0.86494 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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