| MolName | (E)-N-[(4-chlorophenyl)methoxy]-1-cyclopropyl-1-[1-(3,4-dichlorophenyl)triazol-4-yl]methanimine |
| MolecularFormula | C19H15N4OCl3 |
| Smiles | Clc1ccc(CO/N=C(\C2CC2)/c2cn(-c(cc3)cc(Cl)c3Cl)nn2)cc1 |
| InChI | InChI=1S/C19H15Cl3N4O/c20-14-5-1-12(2-6-14)11-27-24-19(13-3-4-13)18-10-26(25-23-18)15-7-8-16(21)17(22)9-15/h1-2,5-10,13H,3-4,11H2 |
| InChIK | SSURGDUPOCTHOB-UHFFFAOYSA-N |
| TotalMolweight | 421.714 |
| Molweight | 421.714 |
| MonoisotopicMass | 420.031142 |
| CLogP | 4.7781 |
| CLogS | -6.474 |
| H Acceptors | 5 |
| TotalSurfaceArea | 299.01 |
| Relative PSA | 0.16829 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | -0.59326 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (E)-N-[(4-chlorophenyl)methoxy]-1-cyclopropyl-1-[1-(3,4-dichlorophenyl)triazol-4-yl]methanimine | 2 - (E)-N-[(4-chlorophenyl)methoxy]-1-cyclopropyl-1-[1-(3,4-dichlorophenyl)triazol-4-yl]methanimine