(E)-3-(4-oxochromen-3-yl)prop-2-enoate
Formula:C12H7O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-oxochromen-3-yl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(4-oxochromen-3-yl)prop-2-enoate |
| MolecularFormula | C12H7O4 |
| Smiles | [O-]C(/C=C/C1=COc(cccc2)c2C1=O)=O |
| InChI | InChI=1S/C12H8O4/c13-11(14)6-5-8-7-16-10-4-2-1-3-9(10)12(8)15/h1-7H,(H,13,14)/p-1 |
| InChIK | JTKDMUFCCJDYLT-UHFFFAOYSA-M |
| TotalMolweight | 215.184 |
| Molweight | 215.184 |
| MonoisotopicMass | 215.034435 |
| CLogP | -0.8464 |
| CLogS | -2.569 |
| H Acceptors | 4 |
| TotalSurfaceArea | 164 |
| Relative PSA | 0.30707 |
| PolarSurfaceArea | 66.43 |
| Druglikeness | 0.63064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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