N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C13H11N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C13H11N4OF3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C13H11F3N4O/c14-13(15,16)11-6-7-20(19-11)9-12(21)18-17-8-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,21) |
| InChIK | WBJXTWPKRFSGID-UHFFFAOYSA-N |
| TotalMolweight | 296.251 |
| Molweight | 296.251 |
| MonoisotopicMass | 296.088495 |
| CLogP | 1.6608 |
| CLogS | -2.757 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 218.17 |
| Relative PSA | 0.24683 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | -5.4088 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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