N-[(Z)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C11H9N4OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C11H9N4OF3S |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C11H9F3N4OS/c12-11(13,14)9-3-4-18(17-9)7-10(19)16-15-6-8-2-1-5-20-8/h1-6H,7H2,(H,16,19) |
| InChIK | OKSPZUGFOJESKY-UHFFFAOYSA-N |
| TotalMolweight | 302.279 |
| Molweight | 302.279 |
| MonoisotopicMass | 302.044915 |
| CLogP | 1.5274 |
| CLogS | -2.767 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 214.11 |
| Relative PSA | 0.3466 |
| PolarSurfaceArea | 87.52 |
| Druglikeness | -4.0489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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