N'-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]oxamide
Formula:C18H15N5O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]oxamide |
| MolecularFormula | C18H15N5O2 |
| Smiles | NC(C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)=O)=O |
| InChI | InChI=1S/C18H15N5O2/c19-17(24)18(25)21-20-11-14-12-23(15-9-5-2-6-10-15)22-16(14)13-7-3-1-4-8-13/h1-12H,(H2,19,24)(H,21,25) |
| InChIK | DLAGQIBITXLIEZ-UHFFFAOYSA-N |
| TotalMolweight | 333.35 |
| Molweight | 333.35 |
| MonoisotopicMass | 333.122575 |
| CLogP | 1.0027 |
| CLogS | -3.615 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 260.98 |
| Relative PSA | 0.31481 |
| PolarSurfaceArea | 102.37 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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