Dianthramine
PubChem CID: 441562
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| Compound Synonyms | Dianthramine, 136945-65-8, 2,2'-Azanediylbis(4-hydroxybenzoic acid), 2-(2-carboxy-5-hydroxyanilino)-4-hydroxybenzoic acid, 2,2'-Iminobis(4-hydroxybenzoic acid), Benzoic acid, 2,2'-iminobis[4-hydroxy-, DTXSID30331591, C08478, 2-(2-carboxy-5-hydroxy-anilino)-4-hydroxy-benzoic acid, 2,2'-Iminobis[4-hydroxybenzoic acid], AC1L9BBP, CHEBI:4492, DTXCID80282685, 2,2'-Iminobis(4-hydroxybenzoate), CS-0379366, Q27106400 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-carboxy-5-hydroxyanilino)-4-hydroxybenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C14H11NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVZLTRRSGWXPBL-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.607 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.959 |
| Compound Name | Dianthramine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 289.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 289.059 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 289.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4554645428571424 |
| Inchi | InChI=1S/C14H11NO6/c16-7-1-3-9(13(18)19)11(5-7)15-12-6-8(17)2-4-10(12)14(20)21/h1-6,15-17H,(H,18,19)(H,20,21) |
| Smiles | C1=CC(=C(C=C1O)NC2=C(C=CC(=C2)O)C(=O)O)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients