2,7-Dihydroxy-1,8-dimethoxypyrene
PubChem CID: 10613704
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| Compound Synonyms | 2,7-dihydroxy-1,8-dimethoxypyrene |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8-dimethoxypyrene-2,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C18H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GCHNQYKYNHGZKM-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -5.598 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.504 |
| Compound Name | 2,7-Dihydroxy-1,8-dimethoxypyrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 294.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.754679018181818 |
| Inchi | InChI=1S/C18H14O4/c1-21-17-11-5-6-12-16-10(8-14(20)18(12)22-2)4-3-9(15(11)16)7-13(17)19/h3-8,19-20H,1-2H3 |
| Smiles | COC1=C(C=C2C=CC3=CC(=C(C4=C3C2=C1C=C4)OC)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Pallida (Plant) Rel Props:Source_db:cmaup_ingredients