4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N'-hydroxybenzenecarboximidamide
Formula:C13H9N3O2ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N'-hydroxybenzenecarboximidamide is a drug-like molecule.
| MolName | 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N'-hydroxybenzenecarboximidamide |
| MolecularFormula | C13H9N3O2ClF3 |
| Smiles | N/C(/c(cc1)ccc1Oc(ncc(C(F)(F)F)c1)c1Cl)=N/O |
| InChI | InChI=1S/C13H9ClF3N3O2/c14-10-5-8(13(15,16)17)6-19-12(10)22-9-3-1-7(2-4-9)11(18)20-21/h1-6,21H,(H2,18,20) |
| InChIK | OGVFGAOLPIYKCN-UHFFFAOYSA-N |
| TotalMolweight | 331.68 |
| Molweight | 331.68 |
| MonoisotopicMass | 331.033538 |
| CLogP | 3.5687 |
| CLogS | -5.621 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 224.5 |
| Relative PSA | 0.27105 |
| PolarSurfaceArea | 80.73 |
| Druglikeness | -8.6252 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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