(2Z,3R)-7-fluoro-3-phenyl-2-(thiophen-2-ylmethylidene)-3H-inden-1-one
Formula:C20H13OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,3R)-7-fluoro-3-phenyl-2-(thiophen-2-ylmethylidene)-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z,3R)-7-fluoro-3-phenyl-2-(thiophen-2-ylmethylidene)-3H-inden-1-one |
| MolecularFormula | C20H13OFS |
| Smiles | O=C(/C(/[C@@H]1c2ccccc2)=C\c2cccs2)c2c1cccc2F |
| InChI | InChI=1S/C20H13FOS/c21-17-10-4-9-15-18(13-6-2-1-3-7-13)16(20(22)19(15)17)12-14-8-5-11-23-14/h1-12,18H/t18-/m1/s1 |
| InChIK | CRPNBNMNMPHDMA-GOSISDBHSA-N |
| TotalMolweight | 320.386 |
| Molweight | 320.386 |
| MonoisotopicMass | 320.067113 |
| CLogP | 4.582 |
| CLogS | -5.486 |
| H Acceptors | 1 |
| TotalSurfaceArea | 236.53 |
| Relative PSA | 0.14121 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | 1.072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43478 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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