4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]-N'-hydroxybenzenecarboximidamide
Formula:C14H11N3O2ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]-N'-hydroxybenzenecarboximidamide is a drug-like molecule.
| MolName | 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]-N'-hydroxybenzenecarboximidamide |
| MolecularFormula | C14H11N3O2ClF3 |
| Smiles | N/C(/c(cc1)ccc1OCc(ncc(C(F)(F)F)c1)c1Cl)=N/O |
| InChI | InChI=1S/C14H11ClF3N3O2/c15-11-5-9(14(16,17)18)6-20-12(11)7-23-10-3-1-8(2-4-10)13(19)21-22/h1-6,22H,7H2,(H2,19,21) |
| InChIK | KMGSDAJKJIJZET-UHFFFAOYSA-N |
| TotalMolweight | 345.707 |
| Molweight | 345.707 |
| MonoisotopicMass | 345.049188 |
| CLogP | 3.2238 |
| CLogS | -4.164 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 238.26 |
| Relative PSA | 0.25539 |
| PolarSurfaceArea | 80.73 |
| Druglikeness | -8.7675 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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