(Z)-1-(3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
Formula:C16H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C16H14N4O |
| Smiles | C(c1ccccc1)Oc1cc(/C=N\n2cnnc2)ccc1 |
| InChI | InChI=1S/C16H14N4O/c1-2-5-14(6-3-1)11-21-16-8-4-7-15(9-16)10-19-20-12-17-18-13-20/h1-10,12-13H,11H2 |
| InChIK | CGUZPXUHLZCRNO-UHFFFAOYSA-N |
| TotalMolweight | 278.314 |
| Molweight | 278.314 |
| MonoisotopicMass | 278.116761 |
| CLogP | 2.5764 |
| CLogS | -5.651 |
| H Acceptors | 5 |
| TotalSurfaceArea | 228.02 |
| Relative PSA | 0.22068 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | 3.0586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-1-(3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
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