N'-hydroxy-1,3-diphenylpyrazole-4-carboximidamide
Formula:C16H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-1,3-diphenylpyrazole-4-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-1,3-diphenylpyrazole-4-carboximidamide |
| MolecularFormula | C16H14N4O |
| Smiles | N/C(/c1cn(-c2ccccc2)nc1-c1ccccc1)=N/O |
| InChI | InChI=1S/C16H14N4O/c17-16(19-21)14-11-20(13-9-5-2-6-10-13)18-15(14)12-7-3-1-4-8-12/h1-11,21H,(H2,17,19) |
| InChIK | IEPJTVHSULGQAF-UHFFFAOYSA-N |
| TotalMolweight | 278.314 |
| Molweight | 278.314 |
| MonoisotopicMass | 278.116761 |
| CLogP | 2.2873 |
| CLogS | -3.593 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 218.58 |
| Relative PSA | 0.26407 |
| PolarSurfaceArea | 76.43 |
| Druglikeness | 2.1861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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