(Z)-1-naphthalen-2-yl-N-(1,2,4-triazol-4-yl)methanimine
Formula:C13H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-naphthalen-2-yl-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-naphthalen-2-yl-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C13H10N4 |
| Smiles | C(c1cc2ccccc2cc1)=N\n1cnnc1 |
| InChI | InChI=1S/C13H10N4/c1-2-4-13-7-11(5-6-12(13)3-1)8-16-17-9-14-15-10-17/h1-10H |
| InChIK | PDQXTYHHIQBEIK-UHFFFAOYSA-N |
| TotalMolweight | 222.25 |
| Molweight | 222.25 |
| MonoisotopicMass | 222.090546 |
| CLogP | 2.4227 |
| CLogS | -5.916 |
| H Acceptors | 4 |
| TotalSurfaceArea | 179.1 |
| Relative PSA | 0.22513 |
| PolarSurfaceArea | 43.07 |
| Druglikeness | 3.8706 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-1-naphthalen-2-yl-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-naphthalen-2-yl-N-(1,2,4-triazol-4-yl)methanimine
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