dibenzofuran-2-yl (E)-3-(3-chlorophenyl)prop-2-enoate
Formula:C21H13O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
dibenzofuran-2-yl (E)-3-(3-chlorophenyl)prop-2-enoate is not a drug-like molecule.
| MolName | dibenzofuran-2-yl (E)-3-(3-chlorophenyl)prop-2-enoate |
| MolecularFormula | C21H13O3Cl |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)Oc(cc1)cc2c1oc1c2cccc1 |
| InChI | InChI=1S/C21H13ClO3/c22-15-5-3-4-14(12-15)8-11-21(23)24-16-9-10-20-18(13-16)17-6-1-2-7-19(17)25-20/h1-13H |
| InChIK | VDGIWQKLKCCESP-UHFFFAOYSA-N |
| TotalMolweight | 348.784 |
| Molweight | 348.784 |
| MonoisotopicMass | 348.055322 |
| CLogP | 5.7938 |
| CLogS | -6.852 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.58 |
| Relative PSA | 0.14202 |
| PolarSurfaceArea | 39.44 |
| Druglikeness | -3.1899 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| StereoCon |
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