5,7-dihydroxy-3-(4-iodophenoxy)chromen-4-one
Formula:C15H9O5I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5,7-dihydroxy-3-(4-iodophenoxy)chromen-4-one is a drug-like molecule.
| MolName | 5,7-dihydroxy-3-(4-iodophenoxy)chromen-4-one |
| MolecularFormula | C15H9O5I |
| Smiles | Oc(cc1O)cc(OC=C2Oc(cc3)ccc3I)c1C2=O |
| InChI | InChI=1S/C15H9IO5/c16-8-1-3-10(4-2-8)21-13-7-20-12-6-9(17)5-11(18)14(12)15(13)19/h1-7,17-18H |
| InChIK | VPDWPXWRFNHQSY-UHFFFAOYSA-N |
| TotalMolweight | 396.131 |
| Molweight | 396.131 |
| MonoisotopicMass | 395.949473 |
| CLogP | 2.6004 |
| CLogS | -4.47 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 220.96 |
| Relative PSA | 0.2681 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 0.23092 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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