3,4-Dioxonaphthalen-1-olate
PubChem CID: 25202955
Connections displayed (default: 10).
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| Topological Polar Surface Area | 57.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dioxonaphthalen-1-olate |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H5O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | WVCHIGAIXREVNS-UHFFFAOYSA-M |
| Fcsp3 | 0.0 |
| Logs | -3.604 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.076 |
| Compound Name | 3,4-Dioxonaphthalen-1-olate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 173.024 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 173.024 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 173.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7905498615384612 |
| Inchi | InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H/p-1 |
| Smiles | C1=CC=C2C(=C1)C(=CC(=O)C2=O)[O-] |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cassytha Filiformis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Impatiens Balsamina (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lawsonia Inermis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Litsea Pungens (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients