3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
Formula:C18H12O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(E)-3-phenylprop-2-enoyl]chromen-2-one is a drug-like molecule.
| MolName | 3-[(E)-3-phenylprop-2-enoyl]chromen-2-one |
| MolecularFormula | C18H12O3 |
| Smiles | O=C(/C=C/c1ccccc1)C1=Cc(cccc2)c2OC1=O |
| InChI | InChI=1S/C18H12O3/c19-16(11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-17(14)21-18(15)20/h1-12H |
| InChIK | VDRABZCZJGJDSC-UHFFFAOYSA-N |
| TotalMolweight | 276.29 |
| Molweight | 276.29 |
| MonoisotopicMass | 276.078645 |
| CLogP | 3.112 |
| CLogS | -3.956 |
| H Acceptors | 3 |
| TotalSurfaceArea | 216.23 |
| Relative PSA | 0.16686 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -1.2384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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