(Z)-1-quinolin-6-yl-N-(1,2,4-triazol-4-yl)methanimine
Formula:C12H9N5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-1-quinolin-6-yl-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-quinolin-6-yl-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C12H9N5 |
| Smiles | C(c1ccc2ncccc2c1)=N\n1cnnc1 |
| InChI | InChI=1S/C12H9N5/c1-2-11-6-10(3-4-12(11)13-5-1)7-16-17-8-14-15-9-17/h1-9H |
| InChIK | NBKXJRIVMIJXEQ-UHFFFAOYSA-N |
| TotalMolweight | 223.238 |
| Molweight | 223.238 |
| MonoisotopicMass | 223.085795 |
| CLogP | 1.5443 |
| CLogS | -5.016 |
| H Acceptors | 5 |
| TotalSurfaceArea | 177.86 |
| Relative PSA | 0.28837 |
| PolarSurfaceArea | 55.96 |
| Druglikeness | 3.8706 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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