1,7-Dimethylphenanthrene-2,6-diol
PubChem CID: 71438254
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7-dimethylphenanthrene-2,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C16H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DFFOEEPIAZHYDY-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.902 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.623 |
| Compound Name | 1,7-Dimethylphenanthrene-2,6-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6901287555555555 |
| Inchi | InChI=1S/C16H14O2/c1-9-7-11-3-4-12-10(2)15(17)6-5-13(12)14(11)8-16(9)18/h3-8,17-18H,1-2H3 |
| Smiles | CC1=CC2=C(C=C1O)C3=C(C=C2)C(=C(C=C3)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agave Americana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eupatorium Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hyptis Fasciculata (Plant) Rel Props:Source_db:cmaup_ingredients