N-(3-nitrophenyl)-N'-[(Z)-pyridin-2-ylmethylideneamino]butanediamide
Formula:C16H15N5O4
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-(3-nitrophenyl)-N'-[(Z)-pyridin-2-ylmethylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(3-nitrophenyl)-N'-[(Z)-pyridin-2-ylmethylideneamino]butanediamide |
| MolecularFormula | C16H15N5O4 |
| Smiles | [O-][N+](c1cc(NC(CCC(N/N=C\c2ncccc2)=O)=O)ccc1)=O |
| InChI | InChI=1S/C16H15N5O4/c22-15(19-12-5-3-6-14(10-12)21(24)25)7-8-16(23)20-18-11-13-4-1-2-9-17-13/h1-6,9-11H,7-8H2,(H,19,22)(H,20,23) |
| InChIK | DEMQDOAPRUHRJO-UHFFFAOYSA-N |
| TotalMolweight | 341.326 |
| Molweight | 341.326 |
| MonoisotopicMass | 341.112405 |
| CLogP | 1.1842 |
| CLogS | -3.754 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 266.15 |
| Relative PSA | 0.38287 |
| PolarSurfaceArea | 129.27 |
| Druglikeness | -1.5104 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(3-nitrophenyl)-N'-[(Z)-pyridin-2-ylmethylideneamino]butanediamide | 2 - N-(3-nitrophenyl)-N'-[(Z)-pyridin-2-ylmethylideneamino]butanediamide
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