(Z)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
Formula:C17H15N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C17H15N4O2Br |
| Smiles | Brc(cc1)ccc1OCCOc1ccc(/C=N\n2cnnc2)cc1 |
| InChI | InChI=1S/C17H15BrN4O2/c18-15-3-7-17(8-4-15)24-10-9-23-16-5-1-14(2-6-16)11-21-22-12-19-20-13-22/h1-8,11-13H,9-10H2 |
| InChIK | NNBDILAXUDTSCA-UHFFFAOYSA-N |
| TotalMolweight | 387.236 |
| Molweight | 387.236 |
| MonoisotopicMass | 386.037837 |
| CLogP | 3.3085 |
| CLogS | -6.412 |
| H Acceptors | 6 |
| TotalSurfaceArea | 270.41 |
| Relative PSA | 0.22307 |
| PolarSurfaceArea | 61.53 |
| Druglikeness | -5.6114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
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