(Z)-1-(5-bromo-2-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
Formula:C16H13N4OBr
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(5-bromo-2-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(5-bromo-2-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C16H13N4OBr |
| Smiles | Brc(cc1)cc(/C=N\n2cnnc2)c1OCc1ccccc1 |
| InChI | InChI=1S/C16H13BrN4O/c17-15-6-7-16(22-10-13-4-2-1-3-5-13)14(8-15)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2 |
| InChIK | FVKXYJFOJJGWEU-UHFFFAOYSA-N |
| TotalMolweight | 357.21 |
| Molweight | 357.21 |
| MonoisotopicMass | 356.027272 |
| CLogP | 3.3016 |
| CLogS | -6.485 |
| H Acceptors | 5 |
| TotalSurfaceArea | 246.65 |
| Relative PSA | 0.20401 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | 1.2686 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-(5-bromo-2-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(5-bromo-2-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
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