(E)-3-(5-bromofuran-2-yl)prop-2-enoate
Formula:C7H4O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(5-bromofuran-2-yl)prop-2-enoate |
| MolecularFormula | C7H4O3Br |
| Smiles | [O-]C(/C=C/c(o1)ccc1Br)=O |
| InChI | InChI=1S/C7H5BrO3/c8-6-3-1-5(11-6)2-4-7(9)10/h1-4H,(H,9,10)/p-1 |
| InChIK | IIMYTCICBUBFJH-UHFFFAOYSA-M |
| TotalMolweight | 216.01 |
| Molweight | 216.01 |
| MonoisotopicMass | 214.934381 |
| CLogP | -0.5908 |
| CLogS | -2.278 |
| H Acceptors | 3 |
| TotalSurfaceArea | 133.36 |
| Relative PSA | 0.31066 |
| PolarSurfaceArea | 53.27 |
| Druglikeness | -2.121 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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