[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
Formula:C14H7N4O2ClF6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
[(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate |
| MolecularFormula | C14H7N4O2ClF6 |
| Smiles | N/C(/c1ncc(C(F)(F)F)cc1)=N/OC(c(ncc(C(F)(F)F)c1)c1Cl)=O |
| InChI | InChI=1S/C14H7ClF6N4O2/c15-8-3-7(14(19,20)21)5-24-10(8)12(26)27-25-11(22)9-2-1-6(4-23-9)13(16,17)18/h1-5H,(H2,22,25) |
| InChIK | WGDTVUMYWCLGEI-UHFFFAOYSA-N |
| TotalMolweight | 412.677 |
| Molweight | 412.677 |
| MonoisotopicMass | 412.016171 |
| CLogP | 3.4809 |
| CLogS | -4.286 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 264.12 |
| Relative PSA | 0.27169 |
| PolarSurfaceArea | 90.46 |
| Druglikeness | -9.8501 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate | 2 - [(E)-[amino-[5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
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