3-[(E)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one
Formula:C22H14O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one is a drug-like molecule.
| MolName | 3-[(E)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one |
| MolecularFormula | C22H14O3 |
| Smiles | O=C(/C=C/c1cc2ccccc2cc1)C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C22H14O3/c23-20(19-14-25-21-8-4-3-7-18(21)22(19)24)12-10-15-9-11-16-5-1-2-6-17(16)13-15/h1-14H |
| InChIK | XUONVUDEWQZQTR-UHFFFAOYSA-N |
| TotalMolweight | 326.35 |
| Molweight | 326.35 |
| MonoisotopicMass | 326.094295 |
| CLogP | 4.2181 |
| CLogS | -5.85 |
| H Acceptors | 3 |
| TotalSurfaceArea | 250.83 |
| Relative PSA | 0.14384 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | 0.97503 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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