(E)-4-hydroxy-2,3-diphenylbut-2-enoic acid
Formula:C16H14O3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(E)-4-hydroxy-2,3-diphenylbut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-hydroxy-2,3-diphenylbut-2-enoic acid |
| MolecularFormula | C16H14O3 |
| Smiles | OC/C(/c1ccccc1)=C(/C(O)=O)\c1ccccc1 |
| InChI | InChI=1S/C16H14O3/c17-11-14(12-7-3-1-4-8-12)15(16(18)19)13-9-5-2-6-10-13/h1-10,17H,11H2,(H,18,19) |
| InChIK | AJZKMOKFZZCCLC-UHFFFAOYSA-N |
| TotalMolweight | 254.284 |
| Molweight | 254.284 |
| MonoisotopicMass | 254.094295 |
| CLogP | 2.1044 |
| CLogS | -2.178 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 200.15 |
| Relative PSA | 0.19605 |
| PolarSurfaceArea | 57.53 |
| Druglikeness | -0.18148 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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