7-hydroxy-8-iodo-3-quinolin-8-ylchromen-4-one
Formula:C18H10NO3I
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
7-hydroxy-8-iodo-3-quinolin-8-ylchromen-4-one is a drug-like molecule.
| MolName | 7-hydroxy-8-iodo-3-quinolin-8-ylchromen-4-one |
| MolecularFormula | C18H10NO3I |
| Smiles | Oc(c(I)c1OC=C2c3cccc4cccnc34)ccc1C2=O |
| InChI | InChI=1S/C18H10INO3/c19-15-14(21)7-6-12-17(22)13(9-23-18(12)15)11-5-1-3-10-4-2-8-20-16(10)11/h1-9,21H |
| InChIK | NBDLDTZFZWKDMN-UHFFFAOYSA-N |
| TotalMolweight | 415.181 |
| Molweight | 415.181 |
| MonoisotopicMass | 414.970542 |
| CLogP | 3.0717 |
| CLogS | -5.041 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.97 |
| Relative PSA | 0.19797 |
| PolarSurfaceArea | 59.42 |
| Druglikeness | 0.7401 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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