2-[4-[(E)-3-phenylprop-2-enoyl]phenoxy]acetic acid
Formula:C17H14O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-3-phenylprop-2-enoyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(E)-3-phenylprop-2-enoyl]phenoxy]acetic acid |
| MolecularFormula | C17H14O4 |
| Smiles | OC(COc(cc1)ccc1C(/C=C/c1ccccc1)=O)=O |
| InChI | InChI=1S/C17H14O4/c18-16(11-6-13-4-2-1-3-5-13)14-7-9-15(10-8-14)21-12-17(19)20/h1-11H,12H2,(H,19,20) |
| InChIK | QRZMBMJGILTZSR-UHFFFAOYSA-N |
| TotalMolweight | 282.294 |
| Molweight | 282.294 |
| MonoisotopicMass | 282.08921 |
| CLogP | 2.3638 |
| CLogS | -3.633 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 225.13 |
| Relative PSA | 0.21845 |
| PolarSurfaceArea | 63.6 |
| Druglikeness | 0.45745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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