N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
Formula:C13H11N5O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide |
| MolecularFormula | C13H11N5O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(c2ccncc2)=O)=O)o1)=O |
| InChI | InChI=1S/C13H11N5O5/c19-11(8-15-13(20)9-3-5-14-6-4-9)17-16-7-10-1-2-12(23-10)18(21)22/h1-7H,8H2,(H,15,20)(H,17,19) |
| InChIK | NWVICMQRNBURHC-UHFFFAOYSA-N |
| TotalMolweight | 317.26 |
| Molweight | 317.26 |
| MonoisotopicMass | 317.07602 |
| CLogP | -0.0971 |
| CLogS | -3.36 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 242.08 |
| Relative PSA | 0.47922 |
| PolarSurfaceArea | 142.41 |
| Druglikeness | 3.8622 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide | 2 - N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
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