3-(4-fluorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-2-one
Formula:C20H18NO4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-(4-fluorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-2-one is a drug-like molecule.
| MolName | 3-(4-fluorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-2-one |
| MolecularFormula | C20H18NO4F |
| Smiles | Oc(cc1)c(CN2CCOCC2)c(O2)c1C=C(c(cc1)ccc1F)C2=O |
| InChI | InChI=1S/C20H18FNO4/c21-15-4-1-13(2-5-15)16-11-14-3-6-18(23)17(19(14)26-20(16)24)12-22-7-9-25-10-8-22/h1-6,11,23H,7-10,12H2 |
| InChIK | FZAQDNHJRXPPCD-UHFFFAOYSA-N |
| TotalMolweight | 355.364 |
| Molweight | 355.364 |
| MonoisotopicMass | 355.121987 |
| CLogP | 2.0996 |
| CLogS | -2.926 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 260.28 |
| Relative PSA | 0.19091 |
| PolarSurfaceArea | 59 |
| Druglikeness | 0.89028 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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