(E)-3-(furan-2-yl)prop-2-enoate
Formula:C7H5O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C7H5O3 |
| Smiles | [O-]C(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/p-1 |
| InChIK | ZCJLOOJRNPHKAV-UHFFFAOYSA-M |
| TotalMolweight | 137.114 |
| Molweight | 137.114 |
| MonoisotopicMass | 137.02387 |
| CLogP | -1.4134 |
| CLogS | -1.681 |
| H Acceptors | 3 |
| TotalSurfaceArea | 114.73 |
| Relative PSA | 0.36111 |
| PolarSurfaceArea | 53.27 |
| Druglikeness | -0.27944 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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