(3E)-3-[(2-fluorophenyl)methylidene]-4H-chromen-4-ol
Formula:C16H13O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(3E)-3-[(2-fluorophenyl)methylidene]-4H-chromen-4-ol is a drug-like molecule.
| MolName | (3E)-3-[(2-fluorophenyl)methylidene]-4H-chromen-4-ol |
| MolecularFormula | C16H13O2F |
| Smiles | OC1c(cccc2)c2OC/C1=C\c(cccc1)c1F |
| InChI | InChI=1S/C16H13FO2/c17-14-7-3-1-5-11(14)9-12-10-19-15-8-4-2-6-13(15)16(12)18/h1-9,16,18H,10H2/t16-/m0/s1 |
| InChIK | GJYJXEUAXSRXAK-INIZCTEOSA-N |
| TotalMolweight | 256.275 |
| Molweight | 256.275 |
| MonoisotopicMass | 256.089958 |
| CLogP | 3.3494 |
| CLogS | -3.413 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 193.19 |
| Relative PSA | 0.11957 |
| PolarSurfaceArea | 29.46 |
| Druglikeness | -1.6213 |
| 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 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon | racemate |
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