6,7,8-Trimethoxynaphtho[2,3-f][1,3]benzodioxole-5,10-dione
PubChem CID: 163012653
Connections displayed (default: 10).
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| Topological Polar Surface Area | 80.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 550.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7,8-trimethoxynaphtho[2,3-f][1,3]benzodioxole-5,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DTRVNXUELKBJRX-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -5.77 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.81 |
| Compound Name | 6,7,8-Trimethoxynaphtho[2,3-f][1,3]benzodioxole-5,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7511786000000007 |
| Inchi | InChI=1S/C18H14O7/c1-21-13-6-10-14(18(23-3)17(13)22-2)16(20)9-5-12-11(24-7-25-12)4-8(9)15(10)19/h4-6H,7H2,1-3H3 |
| Smiles | COC1=C(C(=C2C(=C1)C(=O)C3=CC4=C(C=C3C2=O)OCO4)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dysosma Aurantiocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Inula Eupatorioides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients