(3E)-3-benzylidene-2-(4-fluorophenyl)isoindol-1-one
Formula:C21H14NOF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-benzylidene-2-(4-fluorophenyl)isoindol-1-one is not a drug-like molecule.
| MolName | (3E)-3-benzylidene-2-(4-fluorophenyl)isoindol-1-one |
| MolecularFormula | C21H14NOF |
| Smiles | O=C(c(cccc1)c1/C1=C\c2ccccc2)N1c(cc1)ccc1F |
| InChI | InChI=1S/C21H14FNO/c22-16-10-12-17(13-11-16)23-20(14-15-6-2-1-3-7-15)18-8-4-5-9-19(18)21(23)24/h1-14H |
| InChIK | JSSZHTIILAVVNF-UHFFFAOYSA-N |
| TotalMolweight | 315.346 |
| Molweight | 315.346 |
| MonoisotopicMass | 315.105942 |
| CLogP | 5.0159 |
| CLogS | -5.44 |
| H Acceptors | 2 |
| TotalSurfaceArea | 238.39 |
| Relative PSA | 0.069592 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 0.74056 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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