benzyl (E)-3-(4-chlorophenyl)prop-2-enoate
Formula:C16H13O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl (E)-3-(4-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | benzyl (E)-3-(4-chlorophenyl)prop-2-enoate |
| MolecularFormula | C16H13O2Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)OCc1ccccc1 |
| InChI | InChI=1S/C16H13ClO2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11H,12H2 |
| InChIK | XHTKVFJPIFRPOF-UHFFFAOYSA-N |
| TotalMolweight | 272.73 |
| Molweight | 272.73 |
| MonoisotopicMass | 272.060407 |
| CLogP | 3.9259 |
| CLogS | -4.186 |
| H Acceptors | 2 |
| TotalSurfaceArea | 216.45 |
| Relative PSA | 0.10644 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -3.0771 |
| 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 | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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