(E)-3-phenoxy-3-phenylprop-2-enoic acid
Formula:C15H12O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenoxy-3-phenylprop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-phenoxy-3-phenylprop-2-enoic acid |
| MolecularFormula | C15H12O3 |
| Smiles | OC(/C=C(\c1ccccc1)/Oc1ccccc1)=O |
| InChI | InChI=1S/C15H12O3/c16-15(17)11-14(12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-11H,(H,16,17) |
| InChIK | VMGGXOBTMCEDFQ-UHFFFAOYSA-N |
| TotalMolweight | 240.257 |
| Molweight | 240.257 |
| MonoisotopicMass | 240.078645 |
| CLogP | 2.7142 |
| CLogS | -2.989 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 191.83 |
| Relative PSA | 0.1884 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -0.15656 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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