(3E)-3-[(2-fluorophenyl)methylidene]chromen-4-one
Formula:C16H11O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(3E)-3-[(2-fluorophenyl)methylidene]chromen-4-one is a drug-like molecule.
| MolName | (3E)-3-[(2-fluorophenyl)methylidene]chromen-4-one |
| MolecularFormula | C16H11O2F |
| Smiles | O=C1c(cccc2)c2OC/C1=C\c(cccc1)c1F |
| InChI | InChI=1S/C16H11FO2/c17-14-7-3-1-5-11(14)9-12-10-19-15-8-4-2-6-13(15)16(12)18/h1-9H,10H2 |
| InChIK | PWJDMLKGJLNPOA-UHFFFAOYSA-N |
| TotalMolweight | 254.259 |
| Molweight | 254.259 |
| MonoisotopicMass | 254.074308 |
| CLogP | 3.5246 |
| CLogS | -4.142 |
| H Acceptors | 2 |
| TotalSurfaceArea | 192.09 |
| Relative PSA | 0.11994 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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