(2Z)-2-(cyclohex-3-en-1-ylmethylidene)-3H-inden-1-one
Formula:C16H16O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(cyclohex-3-en-1-ylmethylidene)-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-2-(cyclohex-3-en-1-ylmethylidene)-3H-inden-1-one |
| MolecularFormula | C16H16O |
| Smiles | O=C(/C(/C1)=C\C2CC=CCC2)c2c1cccc2 |
| InChI | InChI=1S/C16H16O/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)16/h1-2,4-5,8-10,12H,3,6-7,11H2/t12-/m1/s1 |
| InChIK | GNSRLPKYMBQBLK-GFCCVEGCSA-N |
| TotalMolweight | 224.302 |
| Molweight | 224.302 |
| MonoisotopicMass | 224.120115 |
| CLogP | 3.6231 |
| CLogS | -3.883 |
| H Acceptors | 1 |
| TotalSurfaceArea | 182.76 |
| Relative PSA | 0.07135 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -4.4422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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