N-[2-[(2Z)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
Formula:C14H12N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide |
| MolecularFormula | C14H12N4O6 |
| Smiles | [O-][N+](c(ccc(/C=N\NC(CNC(c1ccco1)=O)=O)c1)c1O)=O |
| InChI | InChI=1S/C14H12N4O6/c19-11-6-9(3-4-10(11)18(22)23)7-16-17-13(20)8-15-14(21)12-2-1-5-24-12/h1-7,19H,8H2,(H,15,21)(H,17,20) |
| InChIK | QNNIIZQWYUHKPA-UHFFFAOYSA-N |
| TotalMolweight | 332.271 |
| Molweight | 332.271 |
| MonoisotopicMass | 332.075686 |
| CLogP | 0.2067 |
| CLogS | -3.334 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 249.67 |
| Relative PSA | 0.47318 |
| PolarSurfaceArea | 149.75 |
| Druglikeness | 0.47201 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide | 2 - N-[2-[(2Z)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
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