N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
Formula:C18H18N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C18H18N4O3 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c2ccccc2)=O)c1N1CCCC1)=O |
| InChI | InChI=1S/C18H18N4O3/c23-18(14-6-2-1-3-7-14)20-19-13-15-12-16(22(24)25)8-9-17(15)21-10-4-5-11-21/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,23) |
| InChIK | ZWLDMSYICCMPGV-UHFFFAOYSA-N |
| TotalMolweight | 338.366 |
| Molweight | 338.366 |
| MonoisotopicMass | 338.137891 |
| CLogP | 2.771 |
| CLogS | -4.903 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 262.5 |
| Relative PSA | 0.26659 |
| PolarSurfaceArea | 90.52 |
| Druglikeness | 0.74185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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