(E)-3-(3-phenoxyphenyl)prop-2-enoate
Formula:C15H11O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-phenoxyphenyl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(3-phenoxyphenyl)prop-2-enoate |
| MolecularFormula | C15H11O3 |
| Smiles | [O-]C(/C=C/c1cc(Oc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C15H12O3/c16-15(17)10-9-12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-11H,(H,16,17)/p-1 |
| InChIK | RYTBBLWPDBZDHT-UHFFFAOYSA-M |
| TotalMolweight | 239.249 |
| Molweight | 239.249 |
| MonoisotopicMass | 239.07082 |
| CLogP | 0.7935 |
| CLogS | -4.296 |
| H Acceptors | 3 |
| TotalSurfaceArea | 194.8 |
| Relative PSA | 0.19158 |
| PolarSurfaceArea | 49.36 |
| Druglikeness | -0.62524 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| 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 | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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