(6R)-8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol
PubChem CID: 5317338
Connections displayed (default: 10).
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| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6R)-8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C11H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WEHCLKPVYGSJHR-QFSRMBNQSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -1.253 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.447 |
| Compound Name | (6R)-8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 194.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.350468857142857 |
| Inchi | InChI=1S/C11H14O3/c1-6-2-8(12)3-7-4-9(13)5-10(14)11(6)7/h4-6,8,12-14H,2-3H2,1H3/t6?,8-/m1/s1 |
| Smiles | CC1C[C@H](CC2=C1C(=CC(=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients