| MolName | (NZ)-N-[[3-[5-(4-nitrophenyl)furan-2-yl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine |
| MolecularFormula | C20H14N4O4 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(-c(c(/C=N\O)c2)nn2-c2ccccc2)o1)=O |
| InChI | InChI=1S/C20H14N4O4/c25-21-12-15-13-23(16-4-2-1-3-5-16)22-20(15)19-11-10-18(28-19)14-6-8-17(9-7-14)24(26)27/h1-13,25H |
| InChIK | OXTYYSJYZQSAOE-UHFFFAOYSA-N |
| TotalMolweight | 374.355 |
| Molweight | 374.355 |
| MonoisotopicMass | 374.101506 |
| CLogP | 3.1876 |
| CLogS | -5.416 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 284.97 |
| Relative PSA | 0.30523 |
| PolarSurfaceArea | 109.37 |
| Druglikeness | -1.1545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NZ)-N-[[3-[5-(4-nitrophenyl)furan-2-yl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine | 2 - (NZ)-N-[[3-[5-(4-nitrophenyl)furan-2-yl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine