(Z)-1-[5-chloro-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
Formula:C17H15N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-1-[5-chloro-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-[5-chloro-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C17H15N4O2Cl |
| Smiles | Clc(cc1)cc(/C=N\n2cnnc2)c1OCCOc1ccccc1 |
| InChI | InChI=1S/C17H15ClN4O2/c18-15-6-7-17(14(10-15)11-21-22-12-19-20-13-22)24-9-8-23-16-4-2-1-3-5-16/h1-7,10-13H,8-9H2 |
| InChIK | RTUQXQAFNIERRZ-UHFFFAOYSA-N |
| TotalMolweight | 342.785 |
| Molweight | 342.785 |
| MonoisotopicMass | 342.088353 |
| CLogP | 3.1893 |
| CLogS | -6.314 |
| H Acceptors | 6 |
| TotalSurfaceArea | 267.2 |
| Relative PSA | 0.22575 |
| PolarSurfaceArea | 61.53 |
| Druglikeness | -3.8015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| 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 | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-[5-chloro-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[5-chloro-2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off