(5'E)-5'-benzylidene-8-(cyclohexen-1-yl)-2-phenylspiro[2,4,5,6,7,8-hexahydrochromene-3,2'-cyclopentane]-1'-one
Formula:C32H34O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5'E)-5'-benzylidene-8-(cyclohexen-1-yl)-2-phenylspiro[2,4,5,6,7,8-hexahydrochromene-3,2'-cyclopentane]-1'-one is not a drug-like molecule.
| MolName | (5'E)-5'-benzylidene-8-(cyclohexen-1-yl)-2-phenylspiro[2,4,5,6,7,8-hexahydrochromene-3,2'-cyclopentane]-1'-one |
| MolecularFormula | C32H34O2 |
| Smiles | O=C(C1(CC2)C(c3ccccc3)OC(C(CCC3)C4=CCCCC4)=C3C1)/C2=C/c1ccccc1 |
| InChI | InChI=1S/C32H34O2/c33-30-26(21-23-11-4-1-5-12-23)19-20-32(30)22-27-17-10-18-28(24-13-6-2-7-14-24)29(27)34-31(32)25-15-8-3-9-16-25/h1,3-5,8-9,11-13,15-16,21,28,31H,2,6-7,10,14,17-20,22H2 |
| InChIK | CEWFKTJMXFUPQH-UHFFFAOYSA-N |
| TotalMolweight | 450.62 |
| Molweight | 450.62 |
| MonoisotopicMass | 450.25588 |
| CLogP | 7.1761 |
| CLogS | -6.816 |
| H Acceptors | 2 |
| TotalSurfaceArea | 352.12 |
| Relative PSA | 0.065432 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -5.3255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (5'E)-5'-benzylidene-8-(cyclohexen-1-yl)-2-phenylspiro[2,4,5,6,7,8-hexahydrochromene-3,2'-cyclopentane]-1'-one | 2 - (5'E)-5'-benzylidene-8-(cyclohexen-1-yl)-2-phenylspiro[2,4,5,6,7,8-hexahydrochromene-3,2'-cyclopentane]-1'-one
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