(E)-3-(4-benzoyloxyphenyl)prop-2-enoic acid
Formula:C16H12O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-benzoyloxyphenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(4-benzoyloxyphenyl)prop-2-enoic acid |
| MolecularFormula | C16H12O4 |
| Smiles | OC(/C=C/c(cc1)ccc1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C16H12O4/c17-15(18)11-8-12-6-9-14(10-7-12)20-16(19)13-4-2-1-3-5-13/h1-11H,(H,17,18) |
| InChIK | KOKUTEOWSHGSAQ-UHFFFAOYSA-N |
| TotalMolweight | 268.267 |
| Molweight | 268.267 |
| MonoisotopicMass | 268.07356 |
| CLogP | 2.9044 |
| CLogS | -3.469 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 211.37 |
| Relative PSA | 0.23267 |
| PolarSurfaceArea | 63.6 |
| Druglikeness | 0.22066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-benzoyloxyphenyl)prop-2-enoic acid | 2 - (E)-3-(4-benzoyloxyphenyl)prop-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off