2-Carboxy-3-hydroxy-9,10-dioxoanthracen-1-olate
PubChem CID: 54740334
Connections displayed (default: 10).
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| Topological Polar Surface Area | 115.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 487.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-carboxy-3-hydroxy-9,10-dioxoanthracen-1-olate |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H7O6- |
| Prediction Swissadme | 0.0 |
| Inchi Key | PLDISGVCDWLKQC-UHFFFAOYSA-M |
| Fcsp3 | 0.0 |
| Logs | -3.469 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.571 |
| Compound Name | 2-Carboxy-3-hydroxy-9,10-dioxoanthracen-1-olate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 283.024 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 283.024 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 283.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.710490142857143 |
| Inchi | InChI=1S/C15H8O6/c16-9-5-8-10(14(19)11(9)15(20)21)13(18)7-4-2-1-3-6(7)12(8)17/h1-5,16,19H,(H,20,21)/p-1 |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)[O-])C(=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Baileya Multiradiata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gynochthodes Umbellata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ipomoea Cairica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients