[(E)-2-[1-[2-(2-chlorophenoxy)ethyl]imidazol-2-yl]-1-phenylethenyl] benzoate
Formula:C26H21N2O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-2-[1-[2-(2-chlorophenoxy)ethyl]imidazol-2-yl]-1-phenylethenyl] benzoate is not a drug-like molecule.
| MolName | [(E)-2-[1-[2-(2-chlorophenoxy)ethyl]imidazol-2-yl]-1-phenylethenyl] benzoate |
| MolecularFormula | C26H21N2O3Cl |
| Smiles | O=C(c1ccccc1)O/C(/c1ccccc1)=C/c1nccn1CCOc(cccc1)c1Cl |
| InChI | InChI=1S/C26H21ClN2O3/c27-22-13-7-8-14-23(22)31-18-17-29-16-15-28-25(29)19-24(20-9-3-1-4-10-20)32-26(30)21-11-5-2-6-12-21/h1-16,19H,17-18H2 |
| InChIK | DHVHJPFVKDAXCG-UHFFFAOYSA-N |
| TotalMolweight | 444.917 |
| Molweight | 444.917 |
| MonoisotopicMass | 444.12407 |
| CLogP | 5.1531 |
| CLogS | -4.318 |
| H Acceptors | 5 |
| TotalSurfaceArea | 345.9 |
| Relative PSA | 0.14709 |
| PolarSurfaceArea | 53.35 |
| Druglikeness | 2.5679 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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