(4S)-5-hydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID: 11355988
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| Compound Synonyms | CHEMBL1797382 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 227.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4S)-5-hydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C11H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DLAOANUIPRSQCX-JTQLQIEISA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.507 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.608 |
| Compound Name | (4S)-5-hydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 192.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 192.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9695696571428571 |
| Inchi | InChI=1S/C11H12O3/c1-14-10-6-5-8(12)7-3-2-4-9(13)11(7)10/h2-4,10,13H,5-6H2,1H3/t10-/m0/s1 |
| Smiles | CO[C@H]1CCC(=O)C2=C1C(=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Mandshurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all