(2Z)-2-[(3-chlorophenyl)methylidene]-3H-inden-1-one
Formula:C16H11OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(3-chlorophenyl)methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(3-chlorophenyl)methylidene]-3H-inden-1-one |
| MolecularFormula | C16H11OCl |
| Smiles | O=C(/C(/C1)=C\c2cccc(Cl)c2)c2c1cccc2 |
| InChI | InChI=1S/C16H11ClO/c17-14-6-3-4-11(9-14)8-13-10-12-5-1-2-7-15(12)16(13)18/h1-9H,10H2 |
| InChIK | KLAHLAAXUZQNTH-UHFFFAOYSA-N |
| TotalMolweight | 254.715 |
| Molweight | 254.715 |
| MonoisotopicMass | 254.049842 |
| CLogP | 4.2768 |
| CLogS | -4.749 |
| H Acceptors | 1 |
| TotalSurfaceArea | 191.16 |
| Relative PSA | 0.068215 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.88303 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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 |
| StereoCon |
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