(7Z,16Z,25Z,34Z)-tetraspiro[4.4.410.4.419.4.428.45]hexatriaconta-7,16,25,34-tetraene-6,9,15,18,24,27,33,36-octone
Formula:C36H40O8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7Z,16Z,25Z,34Z)-tetraspiro[4.4.410.4.419.4.428.45]hexatriaconta-7,16,25,34-tetraene-6,9,15,18,24,27,33,36-octone is not a drug-like molecule.
| MolName | (7Z,16Z,25Z,34Z)-tetraspiro[4.4.410.4.419.4.428.45]hexatriaconta-7,16,25,34-tetraene-6,9,15,18,24,27,33,36-octone |
| MolecularFormula | C36H40O8 |
| Smiles | O=C(C1(CCCC1)C(/C=C\C(C1(CCCC1)C(/C=C\C(C1(CCCC1)C(/C=C\C(C12CCCC2)=O)=O)=O)=O)=O)=O)/C=C\C1=O |
| InChI | InChI=1S/C36H40O8/c37-25-9-11-27(39)34(19-3-4-20-34)29(41)13-15-31(43)36(23-7-8-24-36)32(44)16-14-30(42)35(21-5-6-22-35)28(40)12-10-26(38)33(25)17-1-2-18-33/h9-16H,1-8,17-24H2 |
| InChIK | DHMKVKVOAAPRDW-UHFFFAOYSA-N |
| TotalMolweight | 600.706 |
| Molweight | 600.706 |
| MonoisotopicMass | 600.27232 |
| CLogP | 3.172 |
| CLogS | -6.086 |
| H Acceptors | 8 |
| TotalSurfaceArea | 455.8 |
| Relative PSA | 0.22887 |
| PolarSurfaceArea | 136.56 |
| Druglikeness | -1.2916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.34091 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rings Closures | 5 |
| Small Rings | 4 |
| Sp3Atoms | 20 |
| Symmetricatoms | 38 |
| StereoCon |
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1 - (7Z,16Z,25Z,34Z)-tetraspiro[4.4.410.4.419.4.428.45]hexatriaconta-7,16,25,34-tetraene-6,9,15,18,24,27,33,36-octone | 2 - (7Z,16Z,25Z,34Z)-tetraspiro[4.4.410.4.419.4.428.45]hexatriaconta-7,16,25,34-tetraene-6,9,15,18,24,27,33,36-octone
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