N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
Formula:C12H12N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide |
| MolecularFormula | C12H12N4O3 |
| Smiles | Oc1cccc(/C=N\NC(CC(NN2)=CC2=O)=O)c1 |
| InChI | InChI=1S/C12H12N4O3/c17-10-3-1-2-8(4-10)7-13-15-11(18)5-9-6-12(19)16-14-9/h1-4,6-7,17H,5H2,(H,15,18)(H2,14,16,19) |
| InChIK | CJFJSQLTAHEDNC-UHFFFAOYSA-N |
| TotalMolweight | 260.252 |
| Molweight | 260.252 |
| MonoisotopicMass | 260.090941 |
| CLogP | -0.5145 |
| CLogS | -2.825 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 199.22 |
| Relative PSA | 0.42702 |
| PolarSurfaceArea | 102.82 |
| Druglikeness | 3.3947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| StereoCon |
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