N'-hydroxy-4-[5-(trifluoromethyl)pyridin-2-yl]oxybenzenecarboximidamide
Formula:C13H10N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-4-[5-(trifluoromethyl)pyridin-2-yl]oxybenzenecarboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-4-[5-(trifluoromethyl)pyridin-2-yl]oxybenzenecarboximidamide |
| MolecularFormula | C13H10N3O2F3 |
| Smiles | N/C(/c(cc1)ccc1Oc1ncc(C(F)(F)F)cc1)=N/O |
| InChI | InChI=1S/C13H10F3N3O2/c14-13(15,16)9-3-6-11(18-7-9)21-10-4-1-8(2-5-10)12(17)19-20/h1-7,20H,(H2,17,19) |
| InChIK | RHAVFJMKHOLIST-UHFFFAOYSA-N |
| TotalMolweight | 297.235 |
| Molweight | 297.235 |
| MonoisotopicMass | 297.072511 |
| CLogP | 2.9627 |
| CLogS | -4.885 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 209.08 |
| Relative PSA | 0.29104 |
| PolarSurfaceArea | 80.73 |
| Druglikeness | -8.7721 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-hydroxy-4-[5-(trifluoromethyl)pyridin-2-yl]oxybenzenecarboximidamide | 2 - N'-hydroxy-4-[5-(trifluoromethyl)pyridin-2-yl]oxybenzenecarboximidamide
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