N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C15H13N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C15H13N4OF3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C15H13F3N4O/c16-15(17,18)13-8-10-22(21-13)11-14(23)20-19-9-4-7-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,23) |
| InChIK | UHGXCXYOAIDJON-UHFFFAOYSA-N |
| TotalMolweight | 322.289 |
| Molweight | 322.289 |
| MonoisotopicMass | 322.104145 |
| CLogP | 1.6791 |
| CLogS | -3.049 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.67 |
| Relative PSA | 0.22009 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | -5.4185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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