| MolName | [(E)-2-[1-[3-(2-chlorophenoxy)propyl]imidazol-2-yl]-1-phenylethenyl] benzoate |
| MolecularFormula | C27H23N2O3Cl |
| Smiles | O=C(c1ccccc1)O/C(/c1ccccc1)=C/c1nccn1CCCOc(cccc1)c1Cl |
| InChI | InChI=1S/C27H23ClN2O3/c28-23-14-7-8-15-24(23)32-19-9-17-30-18-16-29-26(30)20-25(21-10-3-1-4-11-21)33-27(31)22-12-5-2-6-13-22/h1-8,10-16,18,20H,9,17,19H2 |
| InChIK | OYDDOXFCHUMJPN-UHFFFAOYSA-N |
| TotalMolweight | 458.944 |
| Molweight | 458.944 |
| MonoisotopicMass | 458.13972 |
| CLogP | 5.6075 |
| CLogS | -4.588 |
| H Acceptors | 5 |
| TotalSurfaceArea | 359.66 |
| Relative PSA | 0.14147 |
| PolarSurfaceArea | 53.35 |
| Druglikeness | 2.0767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-2-[1-[3-(2-chlorophenoxy)propyl]imidazol-2-yl]-1-phenylethenyl] benzoate | 2 - [(E)-2-[1-[3-(2-chlorophenoxy)propyl]imidazol-2-yl]-1-phenylethenyl] benzoate