6-Methoxy-7-methyl-8-oxoguanine
PubChem CID: 10584006
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| Compound Synonyms | 6-Methoxy-7-methyl-8-oxoguanine, 2-amino-6-methoxy-7-methyl-9H-purin-8-one |
|---|---|
| Topological Polar Surface Area | 93.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-6-methoxy-7-methyl-9H-purin-8-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C7H9N5O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DAHAOEBKKGDLMP-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -2.672 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.555 |
| Compound Name | 6-Methoxy-7-methyl-8-oxoguanine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 195.076 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 195.076 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 195.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1717426857142854 |
| Inchi | InChI=1S/C7H9N5O2/c1-12-3-4(10-7(12)13)9-6(8)11-5(3)14-2/h1-2H3,(H3,8,9,10,11,13) |
| Smiles | CN1C2=C(NC1=O)N=C(N=C2OC)N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Crassicaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Swertia Tosaensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Viburnum Dilatatum (Plant) Rel Props:Source_db:cmaup_ingredients