3-(4-fluorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-2-one
Formula:C21H20NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-(4-fluorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-2-one is a drug-like molecule.
| MolName | 3-(4-fluorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-2-one |
| MolecularFormula | C21H20NO3F |
| Smiles | Oc(cc1)c(CN2CCCCC2)c(O2)c1C=C(c(cc1)ccc1F)C2=O |
| InChI | InChI=1S/C21H20FNO3/c22-16-7-4-14(5-8-16)17-12-15-6-9-19(24)18(20(15)26-21(17)25)13-23-10-2-1-3-11-23/h4-9,12,24H,1-3,10-11,13H2 |
| InChIK | MUKMOCJQTORDRA-UHFFFAOYSA-N |
| TotalMolweight | 353.392 |
| Molweight | 353.392 |
| MonoisotopicMass | 353.142722 |
| CLogP | 3.2636 |
| CLogS | -3.815 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 264.04 |
| Relative PSA | 0.15032 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | 0.265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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