[(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] pyridine-3-carboxylate
Formula:C19H13N4O3F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] pyridine-3-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] pyridine-3-carboxylate |
| MolecularFormula | C19H13N4O3F3 |
| Smiles | N/C(/c(cc1)ccc1Oc1ncc(C(F)(F)F)cc1)=N/OC(c1cnccc1)=O |
| InChI | InChI=1S/C19H13F3N4O3/c20-19(21,22)14-5-8-16(25-11-14)28-15-6-3-12(4-7-15)17(23)26-29-18(27)13-2-1-9-24-10-13/h1-11H,(H2,23,26) |
| InChIK | MLFIDJMAVFJCCL-UHFFFAOYSA-N |
| TotalMolweight | 402.331 |
| Molweight | 402.331 |
| MonoisotopicMass | 402.093975 |
| CLogP | 3.6656 |
| CLogS | -5.546 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 289 |
| Relative PSA | 0.28291 |
| PolarSurfaceArea | 99.69 |
| Druglikeness | -9.9265 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] pyridine-3-carboxylate | 2 - [(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] pyridine-3-carboxylate
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