(E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
Formula:C16H13O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-phenylmethoxyphenyl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate |
| MolecularFormula | C16H13O3 |
| Smiles | [O-]C(/C=C/c(cc1)ccc1OCc1ccccc1)=O |
| InChI | InChI=1S/C16H14O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,17,18)/p-1 |
| InChIK | HCMSDYVKYZIYGA-UHFFFAOYSA-M |
| TotalMolweight | 253.276 |
| Molweight | 253.276 |
| MonoisotopicMass | 253.08647 |
| CLogP | 0.746 |
| CLogS | -3.34 |
| H Acceptors | 3 |
| TotalSurfaceArea | 208.56 |
| Relative PSA | 0.17894 |
| PolarSurfaceArea | 49.36 |
| Druglikeness | -0.80448 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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