(E)-1-(8-bromoquinolin-6-yl)-N-(1,2,4-triazol-4-yl)methanimine
Formula:C12H8N5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(8-bromoquinolin-6-yl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (E)-1-(8-bromoquinolin-6-yl)-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C12H8N5Br |
| Smiles | Brc1cc(/C=N/n2cnnc2)cc2cccnc12 |
| InChI | InChI=1S/C12H8BrN5/c13-11-5-9(6-17-18-7-15-16-8-18)4-10-2-1-3-14-12(10)11/h1-8H |
| InChIK | HUYSBPDRAFGGTR-UHFFFAOYSA-N |
| TotalMolweight | 302.135 |
| Molweight | 302.135 |
| MonoisotopicMass | 300.996306 |
| CLogP | 2.2695 |
| CLogS | -5.85 |
| H Acceptors | 5 |
| TotalSurfaceArea | 196.49 |
| Relative PSA | 0.26103 |
| PolarSurfaceArea | 55.96 |
| Druglikeness | 2.0806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(8-bromoquinolin-6-yl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (E)-1-(8-bromoquinolin-6-yl)-N-(1,2,4-triazol-4-yl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off