N'-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-4-carboximidamide
Formula:C14H12N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-4-carboximidamide is a drug-like molecule.
| MolName | N'-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-4-carboximidamide |
| MolecularFormula | C14H12N3OF3 |
| Smiles | N/C(/c1ccncc1)=N/OCc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C14H12F3N3O/c15-14(16,17)12-3-1-2-10(8-12)9-21-20-13(18)11-4-6-19-7-5-11/h1-8H,9H2,(H2,18,20) |
| InChIK | CXBIMBTXPCBTMF-UHFFFAOYSA-N |
| TotalMolweight | 295.263 |
| Molweight | 295.263 |
| MonoisotopicMass | 295.093246 |
| CLogP | 2.8371 |
| CLogS | -3.39 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.49 |
| Relative PSA | 0.22056 |
| PolarSurfaceArea | 60.5 |
| Druglikeness | -6.5829 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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