(3aR,4Z,13aR)-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan
Formula:C14H24O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3aR,4Z,13aR)-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan is a drug-like molecule.
| MolName | (3aR,4Z,13aR)-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan |
| MolecularFormula | C14H24O |
| Smiles | C1OC[C@@H]2/C=C\CCCCCCCC[C@@H]12 |
| InChI | InChI=1S/C14H24O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h7,9,13-14H,1-6,8,10-12H2/t13-,14-/m1/s1 |
| InChIK | QQPBNXSJUXIDLT-ZIAGYGMSSA-N |
| TotalMolweight | 208.344 |
| Molweight | 208.344 |
| MonoisotopicMass | 208.182715 |
| CLogP | 4.3992 |
| CLogS | -3.329 |
| H Acceptors | 1 |
| TotalSurfaceArea | 185.6 |
| Relative PSA | 0.053879 |
| PolarSurfaceArea | 9.23 |
| Druglikeness | -11.695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 2 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Sp3Atoms | 13 |
| StereoCon | this enantiomer |
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1 - (3aR,4Z,13aR)-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan | 2 - (3aR,4Z,13aR)-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan
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