[(E)-1-(2-bromophenyl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethenyl] 2-bromobenzoate
Formula:C25H17N2O2Br2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-1-(2-bromophenyl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethenyl] 2-bromobenzoate is not a drug-like molecule.
| MolName | [(E)-1-(2-bromophenyl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethenyl] 2-bromobenzoate |
| MolecularFormula | C25H17N2O2Br2Cl |
| Smiles | O=C(c(cccc1)c1Br)O/C(/c(cccc1)c1Br)=C/c1nccn1Cc(cc1)ccc1Cl |
| InChI | InChI=1S/C25H17Br2ClN2O2/c26-21-7-3-1-5-19(21)23(32-25(31)20-6-2-4-8-22(20)27)15-24-29-13-14-30(24)16-17-9-11-18(28)12-10-17/h1-15H,16H2 |
| InChIK | VQTBGMIRQNZQNG-UHFFFAOYSA-N |
| TotalMolweight | 572.683 |
| Molweight | 572.683 |
| MonoisotopicMass | 569.934527 |
| CLogP | 6.6863 |
| CLogS | -5.821 |
| H Acceptors | 4 |
| TotalSurfaceArea | 359.4 |
| Relative PSA | 0.11375 |
| PolarSurfaceArea | 44.12 |
| Druglikeness | 0.31266 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [(E)-1-(2-bromophenyl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethenyl] 2-bromobenzoate | 2 - [(E)-1-(2-bromophenyl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethenyl] 2-bromobenzoate
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