N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide
Formula:C15H16N6O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide |
| MolecularFormula | C15H16N6O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2c(C(N3CCCCC3)=O)[nH]cn2)=O)o1)=O |
| InChI | InChI=1S/C15H16N6O5/c22-14(19-18-8-10-4-5-11(26-10)21(24)25)12-13(17-9-16-12)15(23)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2,(H,16,17)(H,19,22) |
| InChIK | OSEMJLXCRIXERW-UHFFFAOYSA-N |
| TotalMolweight | 360.329 |
| Molweight | 360.329 |
| MonoisotopicMass | 360.118219 |
| CLogP | 0.9266 |
| CLogS | -3.85 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 272.03 |
| Relative PSA | 0.44881 |
| PolarSurfaceArea | 149.41 |
| Druglikeness | 3.8371 |
| Mutagenic | high |
| Tumorigenic | high |
| 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 | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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