(2Z)-2-benzylidene-3-phenyl-3H-inden-1-one
Formula:C22H16O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-benzylidene-3-phenyl-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-2-benzylidene-3-phenyl-3H-inden-1-one |
| MolecularFormula | C22H16O |
| Smiles | O=C(/C(/C1c2ccccc2)=C\c2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C22H16O/c23-22-19-14-8-7-13-18(19)21(17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16/h1-15,21H/t21-/m0/s1 |
| InChIK | AXWOOFHMHPHMIY-NRFANRHFSA-N |
| TotalMolweight | 296.368 |
| Molweight | 296.368 |
| MonoisotopicMass | 296.120115 |
| CLogP | 4.6146 |
| CLogS | -5.162 |
| H Acceptors | 1 |
| TotalSurfaceArea | 234.24 |
| Relative PSA | 0.055669 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.45162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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