phenyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
Formula:C15H10O3Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
phenyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate is a drug-like molecule.
| MolName | phenyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate |
| MolecularFormula | C15H10O3Cl2 |
| Smiles | O=C(/C=C/Oc(ccc(Cl)c1)c1Cl)Oc1ccccc1 |
| InChI | InChI=1S/C15H10Cl2O3/c16-11-6-7-14(13(17)10-11)19-9-8-15(18)20-12-4-2-1-3-5-12/h1-10H |
| InChIK | IICNYZXBOHLENC-UHFFFAOYSA-N |
| TotalMolweight | 309.147 |
| Molweight | 309.147 |
| MonoisotopicMass | 308.000699 |
| CLogP | 4.085 |
| CLogS | -4.832 |
| H Acceptors | 3 |
| TotalSurfaceArea | 228.11 |
| Relative PSA | 0.14484 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -3.6371 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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