N'-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]oxamide
Formula:C17H14N6O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]oxamide |
| MolecularFormula | C17H14N6O2 |
| Smiles | NC(C(N/N=C\c1cn(-c2ccccc2)nc1-c1cnccc1)=O)=O |
| InChI | InChI=1S/C17H14N6O2/c18-16(24)17(25)21-20-10-13-11-23(14-6-2-1-3-7-14)22-15(13)12-5-4-8-19-9-12/h1-11H,(H2,18,24)(H,21,25) |
| InChIK | SRJYABNGHRRVQV-UHFFFAOYSA-N |
| TotalMolweight | 334.338 |
| Molweight | 334.338 |
| MonoisotopicMass | 334.117824 |
| CLogP | 0.0018001 |
| CLogS | -2.82 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 259.74 |
| Relative PSA | 0.35855 |
| PolarSurfaceArea | 115.26 |
| Druglikeness | 3.6534 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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