(4S)-4,8-dihydroxy-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID: 101695570
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 253.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4S)-4,8-dihydroxy-5-methoxy-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C11H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DEJCMSKVDRQNTM-QMMMGPOBSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.809 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.441 |
| Compound Name | (4S)-4,8-dihydroxy-5-methoxy-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 208.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 208.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0413205999999997 |
| Inchi | InChI=1S/C11H12O4/c1-15-9-5-4-7(13)10-6(12)2-3-8(14)11(9)10/h4-5,8,13-14H,2-3H2,1H3/t8-/m0/s1 |
| Smiles | COC1=C2[C@H](CCC(=O)C2=C(C=C1)O)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