| MolName | (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-phenylprop-2-enoic acid |
| MolecularFormula | C15H10O3Br2 |
| Smiles | OC(/C(/c1ccccc1)=C\c1cc(Br)cc(Br)c1O)=O |
| InChI | InChI=1S/C15H10Br2O3/c16-11-6-10(14(18)13(17)8-11)7-12(15(19)20)9-4-2-1-3-5-9/h1-8,18H,(H,19,20) |
| InChIK | LOQCNXOCQQAMAM-UHFFFAOYSA-N |
| TotalMolweight | 398.049 |
| Molweight | 398.049 |
| MonoisotopicMass | 395.899667 |
| CLogP | 3.9154 |
| CLogS | -4.328 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 225.44 |
| Relative PSA | 0.17406 |
| PolarSurfaceArea | 57.53 |
| Druglikeness | -1.5058 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-phenylprop-2-enoic acid | 2 - (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-phenylprop-2-enoic acid