4,4',5,5'-Tetrahydroxy-1,1'-binaphthyl
PubChem CID: 10087226
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL497261, SCHEMBL20518530, BS-1079, 4,4',5,5'-Tetrahydroxy-1,1'-binaphthyl, 4,5,4',5'-tetrahydroxy-1,1'-binaphthyl |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 401.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C20H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GNXOYKGSVQTWOE-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.536 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.434 |
| Compound Name | 4,4',5,5'-Tetrahydroxy-1,1'-binaphthyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 318.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.974200266666667 |
| Inchi | InChI=1S/C20H14O4/c21-15-5-1-3-13-11(7-9-17(23)19(13)15)12-8-10-18(24)20-14(12)4-2-6-16(20)22/h1-10,21-24H |
| Smiles | C1=CC2=C(C=CC(=C2C(=C1)O)O)C3=C4C=CC=C(C4=C(C=C3)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bridelia Retusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cytisus Caramanicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Embelia Barbeyana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Heliotropium Bovei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Neonotonia Wightii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Verbascum Fruticulosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all