(4E)-4-benzylidene-6-phenyl-1,2,3,6,6a,7,8,9-octahydrobenzo[c]chromene
Formula:C26H26O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-benzylidene-6-phenyl-1,2,3,6,6a,7,8,9-octahydrobenzo[c]chromene is not a drug-like molecule.
| MolName | (4E)-4-benzylidene-6-phenyl-1,2,3,6,6a,7,8,9-octahydrobenzo[c]chromene |
| MolecularFormula | C26H26O |
| Smiles | C(CC12)CC=C1C(CCC/C1=C\c3ccccc3)=C1OC2c1ccccc1 |
| InChI | InChI=1S/C26H26O/c1-3-10-19(11-4-1)18-21-14-9-17-24-22-15-7-8-16-23(22)25(27-26(21)24)20-12-5-2-6-13-20/h1-6,10-13,15,18,23,25H,7-9,14,16-17H2 |
| InChIK | GTCWXHKGVTZFCQ-UHFFFAOYSA-N |
| TotalMolweight | 354.491 |
| Molweight | 354.491 |
| MonoisotopicMass | 354.198365 |
| CLogP | 6.2089 |
| CLogS | -5.661 |
| H Acceptors | 1 |
| TotalSurfaceArea | 282.42 |
| Relative PSA | 0.035408 |
| PolarSurfaceArea | 9.23 |
| Druglikeness | -3.9442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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1 - (4E)-4-benzylidene-6-phenyl-1,2,3,6,6a,7,8,9-octahydrobenzo[c]chromene | 2 - (4E)-4-benzylidene-6-phenyl-1,2,3,6,6a,7,8,9-octahydrobenzo[c]chromene
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