(6E)-2-(furan-2-ylmethyl)-6-(furan-2-ylmethylidene)cyclohexan-1-one
Formula:C16H16O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(6E)-2-(furan-2-ylmethyl)-6-(furan-2-ylmethylidene)cyclohexan-1-one is a drug-like molecule.
| MolName | (6E)-2-(furan-2-ylmethyl)-6-(furan-2-ylmethylidene)cyclohexan-1-one |
| MolecularFormula | C16H16O3 |
| Smiles | O=C(C(Cc1ccco1)CCC1)/C1=C/c1ccco1 |
| InChI | InChI=1S/C16H16O3/c17-16-12(10-14-6-2-8-18-14)4-1-5-13(16)11-15-7-3-9-19-15/h2-3,6-10,13H,1,4-5,11H2/t13-/m1/s1 |
| InChIK | AAUBMONEZHYRJZ-CYBMUJFWSA-N |
| TotalMolweight | 256.3 |
| Molweight | 256.3 |
| MonoisotopicMass | 256.109945 |
| CLogP | 3.1794 |
| CLogS | -3.855 |
| H Acceptors | 3 |
| TotalSurfaceArea | 208.9 |
| Relative PSA | 0.19751 |
| PolarSurfaceArea | 43.35 |
| Druglikeness | -2.2164 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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