2-phenylethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
Formula:C17H16O4
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
2-phenylethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate is a drug-like molecule.
| MolName | 2-phenylethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate |
| MolecularFormula | C17H16O4 |
| Smiles | Oc(cc1)cc(/C=C/C(OCCc2ccccc2)=O)c1O |
| InChI | InChI=1S/C17H16O4/c18-15-7-8-16(19)14(12-15)6-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2 |
| InChIK | OQKRMXDGEFRBAJ-UHFFFAOYSA-N |
| TotalMolweight | 284.31 |
| Molweight | 284.31 |
| MonoisotopicMass | 284.10486 |
| CLogP | 3.0586 |
| CLogS | -2.97 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.49 |
| Relative PSA | 0.21645 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -3.2441 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.66667 |
| 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 | 5 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-phenylethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate | 2 - 2-phenylethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off