[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 6-(trifluoromethyl)pyridine-2-carboxylate
Formula:C15H9N3O2F6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 6-(trifluoromethyl)pyridine-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 6-(trifluoromethyl)pyridine-2-carboxylate |
| MolecularFormula | C15H9N3O2F6 |
| Smiles | N/C(/c1cc(C(F)(F)F)ccc1)=N/OC(c1cccc(C(F)(F)F)n1)=O |
| InChI | InChI=1S/C15H9F6N3O2/c16-14(17,18)9-4-1-3-8(7-9)12(22)24-26-13(25)10-5-2-6-11(23-10)15(19,20)21/h1-7H,(H2,22,24) |
| InChIK | OVWRNNZZNGBHKZ-UHFFFAOYSA-N |
| TotalMolweight | 377.243 |
| Molweight | 377.243 |
| MonoisotopicMass | 377.059895 |
| CLogP | 3.8758 |
| CLogS | -4.345 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 249.94 |
| Relative PSA | 0.24322 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -9.944 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| 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 - [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 6-(trifluoromethyl)pyridine-2-carboxylate | 2 - [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 6-(trifluoromethyl)pyridine-2-carboxylate
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