N-benzyl-N'-[(E)-(2-nitrophenyl)methylideneamino]propanediamide
Formula:C17H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(E)-(2-nitrophenyl)methylideneamino]propanediamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(E)-(2-nitrophenyl)methylideneamino]propanediamide |
| MolecularFormula | C17H16N4O4 |
| Smiles | [O-][N+](c1c(/C=N/NC(CC(NCc2ccccc2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C17H16N4O4/c22-16(18-11-13-6-2-1-3-7-13)10-17(23)20-19-12-14-8-4-5-9-15(14)21(24)25/h1-9,12H,10-11H2,(H,18,22)(H,20,23) |
| InChIK | BIBXKOOZTYLMHY-UHFFFAOYSA-N |
| TotalMolweight | 340.338 |
| Molweight | 340.338 |
| MonoisotopicMass | 340.117156 |
| CLogP | 1.3861 |
| CLogS | -4.071 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 267.39 |
| Relative PSA | 0.34007 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -2.7194 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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