benzyl (E)-3-(furan-2-yl)prop-2-enoate
Formula:C14H12O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
benzyl (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | benzyl (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C14H12O3 |
| Smiles | O=C(/C=C/c1ccco1)OCc1ccccc1 |
| InChI | InChI=1S/C14H12O3/c15-14(9-8-13-7-4-10-16-13)17-11-12-5-2-1-3-6-12/h1-10H,11H2 |
| InChIK | GNXVEEWXMLTBEQ-UHFFFAOYSA-N |
| TotalMolweight | 228.246 |
| Molweight | 228.246 |
| MonoisotopicMass | 228.078645 |
| CLogP | 2.5086 |
| CLogS | -3.132 |
| H Acceptors | 3 |
| TotalSurfaceArea | 190.72 |
| Relative PSA | 0.19479 |
| PolarSurfaceArea | 39.44 |
| Druglikeness | -2.9121 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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