Cyanidin chloride monohydrate
PubChem CID: 6917937
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| Compound Synonyms | Cyanidol chloride, Cyanidin chloride monohydrate, SCHEMBL1230940 |
|---|---|
| Topological Polar Surface Area | 103.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol, chloride, hydrate |
| Prediction Hob | 0.0 |
| Molecular Formula | C15H13ClO7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ROFFNEFHTNKURQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.446 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.802 |
| Compound Name | Cyanidin chloride monohydrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.035 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.035 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 340.71 |
| Covalent Unit Count | 3.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6028156086956526 |
| Inchi | InChI=1S/C15H10O6.ClH.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7, , /h1-6H,(H4-,16,17,18,19,20), 1H, 1H2 |
| Smiles | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.O.[Cl-] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abutilon Theophrasti (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cichorium Glandulosum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients