(Z)-1-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
Formula:C13H8N6OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C13H8N6OClF |
| Smiles | Fc(cnc(Cl)n1)c1Oc1cc(/C=N\n2cnnc2)ccc1 |
| InChI | InChI=1S/C13H8ClFN6O/c14-13-16-6-11(15)12(20-13)22-10-3-1-2-9(4-10)5-19-21-7-17-18-8-21/h1-8H |
| InChIK | RCWHYZPJOYRKJB-UHFFFAOYSA-N |
| TotalMolweight | 318.699 |
| Molweight | 318.699 |
| MonoisotopicMass | 318.043214 |
| CLogP | 2.361 |
| CLogS | -6.947 |
| H Acceptors | 7 |
| TotalSurfaceArea | 233.55 |
| Relative PSA | 0.3094 |
| PolarSurfaceArea | 78.08 |
| Druglikeness | 2.112 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - (Z)-1-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
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