(E)-3-(5-phenylfuran-2-yl)prop-2-enoate
Formula:C13H9O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(5-phenylfuran-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(5-phenylfuran-2-yl)prop-2-enoate |
| MolecularFormula | C13H9O3 |
| Smiles | [O-]C(/C=C/c1ccc(-c2ccccc2)o1)=O |
| InChI | InChI=1S/C13H10O3/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-9H,(H,14,15)/p-1 |
| InChIK | GGEKLCJBCQCQPL-UHFFFAOYSA-M |
| TotalMolweight | 213.211 |
| Molweight | 213.211 |
| MonoisotopicMass | 213.05517 |
| CLogP | 0.3368 |
| CLogS | -3.459 |
| H Acceptors | 3 |
| TotalSurfaceArea | 174.49 |
| Relative PSA | 0.23743 |
| PolarSurfaceArea | 53.27 |
| Druglikeness | 1.179 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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