(E)-3-(7-iodo-4-oxochromen-3-yl)prop-2-enoate
Formula:C12H6O4I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(7-iodo-4-oxochromen-3-yl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(7-iodo-4-oxochromen-3-yl)prop-2-enoate |
| MolecularFormula | C12H6O4I |
| Smiles | [O-]C(/C=C/C1=COc(cc(cc2)I)c2C1=O)=O |
| InChI | InChI=1S/C12H7IO4/c13-8-2-3-9-10(5-8)17-6-7(12(9)16)1-4-11(14)15/h1-6H,(H,14,15)/p-1 |
| InChIK | KZDNYXZYKPEZIX-UHFFFAOYSA-M |
| TotalMolweight | 341.076 |
| Molweight | 341.076 |
| MonoisotopicMass | 340.931083 |
| CLogP | -0.4093 |
| CLogS | -3.585 |
| H Acceptors | 4 |
| TotalSurfaceArea | 190.28 |
| Relative PSA | 0.26466 |
| PolarSurfaceArea | 66.43 |
| Druglikeness | 1.2245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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