2-Methyl-8-methylsulfanylphenanthrene-1,7-diol
PubChem CID: 162938973
Connections displayed (default: 10).
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| Topological Polar Surface Area | 65.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-8-methylsulfanylphenanthrene-1,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C16H14O2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | HAKVMAYCRPPRSH-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.152 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.528 |
| Compound Name | 2-Methyl-8-methylsulfanylphenanthrene-1,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.071 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.071 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 270.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8871517578947365 |
| Inchi | InChI=1S/C16H14O2S/c1-9-3-4-10-11-7-8-14(17)16(19-2)13(11)6-5-12(10)15(9)18/h3-8,17-18H,1-2H3 |
| Smiles | CC1=C(C2=C(C=C1)C3=C(C=C2)C(=C(C=C3)O)SC)O |
| 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