| MolName | N'-hydroxy-4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]benzenecarboximidamide |
| MolecularFormula | C16H11N4OF3S |
| Smiles | N/C(/c(cc1)ccc1-c1csc(-c2c(C(F)(F)F)ccnc2)n1)=N/O |
| InChI | InChI=1S/C16H11F3N4OS/c17-16(18,19)12-5-6-21-7-11(12)15-22-13(8-25-15)9-1-3-10(4-2-9)14(20)23-24/h1-8,24H,(H2,20,23) |
| InChIK | HPYSHVSBKJDCLO-UHFFFAOYSA-N |
| TotalMolweight | 364.35 |
| Molweight | 364.35 |
| MonoisotopicMass | 364.060565 |
| CLogP | 3.621 |
| CLogS | -4.168 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 253.54 |
| Relative PSA | 0.32413 |
| PolarSurfaceArea | 112.63 |
| Druglikeness | -5.129 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N'-hydroxy-4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]benzenecarboximidamide | 2 - N'-hydroxy-4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]benzenecarboximidamide