(5Z,11R)-8,9,10,11-tetrahydro-7H-benzo[9]annulen-11-ol
Formula:C13H16O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z,11R)-8,9,10,11-tetrahydro-7H-benzo[9]annulen-11-ol is a drug-like molecule.
| MolName | (5Z,11R)-8,9,10,11-tetrahydro-7H-benzo[9]annulen-11-ol |
| MolecularFormula | C13H16O |
| Smiles | O[C@H]1c(cccc2)c2/C=C\CCCC1 |
| InChI | InChI=1S/C13H16O/c14-13-10-4-2-1-3-7-11-8-5-6-9-12(11)13/h3,5-9,13-14H,1-2,4,10H2/t13-/m1/s1 |
| InChIK | ZAHDGOUQVBHOKL-CYBMUJFWSA-N |
| TotalMolweight | 188.269 |
| Molweight | 188.269 |
| MonoisotopicMass | 188.120115 |
| CLogP | 3.28 |
| CLogS | -3.105 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 160.15 |
| Relative PSA | 0.081798 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -9.7403 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| StereoCon | this enantiomer |
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1 - (5Z,11R)-8,9,10,11-tetrahydro-7H-benzo[9]annulen-11-ol | 2 - (5Z,11R)-8,9,10,11-tetrahydro-7H-benzo[9]annulen-11-ol
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