(3E)-3-phenacylidene-2-phenylisoindol-1-one
Formula:C22H15NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-phenacylidene-2-phenylisoindol-1-one is a drug-like molecule.
| MolName | (3E)-3-phenacylidene-2-phenylisoindol-1-one |
| MolecularFormula | C22H15NO2 |
| Smiles | O=C(/C=C(\c(cccc1)c1C1=O)/N1c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C22H15NO2/c24-21(16-9-3-1-4-10-16)15-20-18-13-7-8-14-19(18)22(25)23(20)17-11-5-2-6-12-17/h1-15H |
| InChIK | HNPPNMLFHDBYPJ-UHFFFAOYSA-N |
| TotalMolweight | 325.366 |
| Molweight | 325.366 |
| MonoisotopicMass | 325.110279 |
| CLogP | 4.3523 |
| CLogS | -5.214 |
| H Acceptors | 3 |
| TotalSurfaceArea | 249.79 |
| Relative PSA | 0.11862 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | 2.8993 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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