Noraucuparin
PubChem CID: 44605718
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| Compound Synonyms | Noraucuparin, 1188276-88-1, CHEMBL1080121, HY-N10971, DA-66180, CS-0637944 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 213.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-5-phenylbenzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C13H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CDSGSEYGSWGVOJ-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.433 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.9 |
| Compound Name | Noraucuparin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 216.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3739632000000004 |
| Inchi | InChI=1S/C13H12O3/c1-16-12-8-10(7-11(14)13(12)15)9-5-3-2-4-6-9/h2-8,14-15H,1H3 |
| Smiles | COC1=CC(=CC(=C1O)O)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all