(Z)-1-(5-nitrofuran-2-yl)-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanimine
Formula:C20H14N6O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(5-nitrofuran-2-yl)-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanimine is a drug-like molecule.
| MolName | (Z)-1-(5-nitrofuran-2-yl)-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanimine |
| MolecularFormula | C20H14N6O3 |
| Smiles | [O-][N+](c1ccc(/C=N\N=C/c2cn(-c3ccccc3)nc2-c2cnccc2)o1)=O |
| InChI | InChI=1S/C20H14N6O3/c27-26(28)19-9-8-18(29-19)13-23-22-12-16-14-25(17-6-2-1-3-7-17)24-20(16)15-5-4-10-21-11-15/h1-14H |
| InChIK | QLALOXZHSKLISX-UHFFFAOYSA-N |
| TotalMolweight | 386.37 |
| Molweight | 386.37 |
| MonoisotopicMass | 386.112739 |
| CLogP | 3.3222 |
| CLogS | -5.517 |
| H Acceptors | 9 |
| TotalSurfaceArea | 302.14 |
| Relative PSA | 0.31892 |
| PolarSurfaceArea | 114.39 |
| Druglikeness | 2 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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