(Z)-1-[2-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
Formula:C17H15N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-1-[2-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-[2-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C17H15N4OClS |
| Smiles | Clc(cc1)ccc1SCCOc1c(/C=N\n2cnnc2)cccc1 |
| InChI | InChI=1S/C17H15ClN4OS/c18-15-5-7-16(8-6-15)24-10-9-23-17-4-2-1-3-14(17)11-21-22-12-19-20-13-22/h1-8,11-13H,9-10H2 |
| InChIK | MDOZEEWWLHMNDK-UHFFFAOYSA-N |
| TotalMolweight | 358.852 |
| Molweight | 358.852 |
| MonoisotopicMass | 358.065508 |
| CLogP | 3.8272 |
| CLogS | -7.076 |
| H Acceptors | 5 |
| TotalSurfaceArea | 274.69 |
| Relative PSA | 0.24686 |
| PolarSurfaceArea | 77.6 |
| Druglikeness | 3.4143 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 |
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1 - (Z)-1-[2-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[2-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
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