(E)-4-(furan-2-yl)-2-oxobut-3-enoate
Formula:C8H5O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-4-(furan-2-yl)-2-oxobut-3-enoate is a drug-like molecule.
| MolName | (E)-4-(furan-2-yl)-2-oxobut-3-enoate |
| MolecularFormula | C8H5O4 |
| Smiles | [O-]C(C(/C=C/c1ccco1)=O)=O |
| InChI | InChI=1S/C8H6O4/c9-7(8(10)11)4-3-6-2-1-5-12-6/h1-5H,(H,10,11)/p-1 |
| InChIK | WPMRQAQTTMFMEF-UHFFFAOYSA-M |
| TotalMolweight | 165.124 |
| Molweight | 165.124 |
| MonoisotopicMass | 165.018785 |
| CLogP | -2.012 |
| CLogS | -1.603 |
| H Acceptors | 4 |
| TotalSurfaceArea | 132.48 |
| Relative PSA | 0.41116 |
| PolarSurfaceArea | 70.34 |
| Druglikeness | -5.3154 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-(furan-2-yl)-2-oxobut-3-enoate | 2 - (E)-4-(furan-2-yl)-2-oxobut-3-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off