(E)-1-cyclohepta-1,3,5-trien-1-yl-3-cyclohepta-1,4,6-trien-1-ylprop-2-en-1-one
Formula:C17H16O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-cyclohepta-1,3,5-trien-1-yl-3-cyclohepta-1,4,6-trien-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-cyclohepta-1,3,5-trien-1-yl-3-cyclohepta-1,4,6-trien-1-ylprop-2-en-1-one |
| MolecularFormula | C17H16O |
| Smiles | O=C(/C=C/C1=CCC=CC=C1)C1=CC=CC=CC1 |
| InChI | InChI=1S/C17H16O/c18-17(16-11-7-3-4-8-12-16)14-13-15-9-5-1-2-6-10-15/h1-5,7-11,13-14H,6,12H2 |
| InChIK | WCXUITQOMBMFAV-UHFFFAOYSA-N |
| TotalMolweight | 236.313 |
| Molweight | 236.313 |
| MonoisotopicMass | 236.120115 |
| CLogP | 3.0968 |
| CLogS | -2.97 |
| H Acceptors | 1 |
| TotalSurfaceArea | 213.69 |
| Relative PSA | 0.061023 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.71457 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - (E)-1-cyclohepta-1,3,5-trien-1-yl-3-cyclohepta-1,4,6-trien-1-ylprop-2-en-1-one | 2 - (E)-1-cyclohepta-1,3,5-trien-1-yl-3-cyclohepta-1,4,6-trien-1-ylprop-2-en-1-one
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