Melandrin
PubChem CID: 184285
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| Compound Synonyms | Melandrin, 110846-17-8, 5-hydroxy-2-[(4-hydroxybenzoyl)amino]benzoic acid, NSC640162, C7UC00UZ0I, Benzoic acid,5-hydroxy-2-[(4-hydroxybenzoyl)amino]-, Benzoic acid, 5-hydroxy-2-((4-hydroxybenzoyl)amino)-, NSC-640162, 5-Hydroxy-2-((4-hydroxybenzoyl)amino)benzoic acid, NSC 640162, UNII-C7UC00UZ0I, SCHEMBL2810656, DTXSID80149401, AKOS010665883 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-[(4-hydroxybenzoyl)amino]benzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C14H11NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZOKNFJAARIIMMM-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.826 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.573 |
| Compound Name | Melandrin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 273.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 273.064 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 273.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4907632 |
| Inchi | InChI=1S/C14H11NO5/c16-9-3-1-8(2-4-9)13(18)15-12-6-5-10(17)7-11(12)14(19)20/h1-7,16-17H,(H,15,18)(H,19,20) |
| Smiles | C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Plantago Major (Plant) Rel Props:Source_db:cmaup_ingredients