(2Z)-2-[chloro(phenyl)methylidene]-3H-inden-1-one
Formula:C16H11OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[chloro(phenyl)methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-2-[chloro(phenyl)methylidene]-3H-inden-1-one |
| MolecularFormula | C16H11OCl |
| Smiles | O=C(/C(/C1)=C(/c2ccccc2)\Cl)c2c1cccc2 |
| InChI | InChI=1S/C16H11ClO/c17-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)16(14)18/h1-9H,10H2 |
| InChIK | ZUIDNIDKEXSLIM-UHFFFAOYSA-N |
| TotalMolweight | 254.715 |
| Molweight | 254.715 |
| MonoisotopicMass | 254.049842 |
| CLogP | 3.9495 |
| CLogS | -3.162 |
| H Acceptors | 1 |
| TotalSurfaceArea | 189.37 |
| Relative PSA | 0.06886 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.66618 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; 3-halo-enone |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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