| MolName | (Z)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(3,4-dichlorophenyl)methanimine |
| MolecularFormula | C16H10N3O2BrCl2 |
| Smiles | Clc(ccc(/C=N\OCc1nnc(-c(cccc2)c2Br)o1)c1)c1Cl |
| InChI | InChI=1S/C16H10BrCl2N3O2/c17-12-4-2-1-3-11(12)16-22-21-15(24-16)9-23-20-8-10-5-6-13(18)14(19)7-10/h1-8H,9H2 |
| InChIK | SOZCJOGLKRJTAK-UHFFFAOYSA-N |
| TotalMolweight | 427.084 |
| Molweight | 427.084 |
| MonoisotopicMass | 424.933342 |
| CLogP | 5.4875 |
| CLogS | -6.961 |
| H Acceptors | 5 |
| TotalSurfaceArea | 277.98 |
| Relative PSA | 0.20707 |
| PolarSurfaceArea | 60.51 |
| Druglikeness | -0.39539 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (Z)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(3,4-dichlorophenyl)methanimine | 2 - (Z)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(3,4-dichlorophenyl)methanimine