(2E)-2-[(2-phenylmethoxyphenyl)methylidene]-3H-inden-1-one
Formula:C23H18O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(2-phenylmethoxyphenyl)methylidene]-3H-inden-1-one is not a drug-like molecule.
| MolName | (2E)-2-[(2-phenylmethoxyphenyl)methylidene]-3H-inden-1-one |
| MolecularFormula | C23H18O2 |
| Smiles | O=C(/C(/C1)=C/c(cccc2)c2OCc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C23H18O2/c24-23-20(14-18-10-4-6-12-21(18)23)15-19-11-5-7-13-22(19)25-16-17-8-2-1-3-9-17/h1-13,15H,14,16H2 |
| InChIK | CJFJSNCRFGEGJC-UHFFFAOYSA-N |
| TotalMolweight | 326.394 |
| Molweight | 326.394 |
| MonoisotopicMass | 326.13068 |
| CLogP | 5.0189 |
| CLogS | -5.354 |
| H Acceptors | 2 |
| TotalSurfaceArea | 259.26 |
| Relative PSA | 0.088868 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | 0.58443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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