2-Amino-3,4a,8,8a-tetrahydropteridine-4,7-dione
PubChem CID: 57336529
Connections displayed (default: 10).
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| Topological Polar Surface Area | 109.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | -2.3 |
| Molecular Formula | C6H7N5O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CMOXKYQQTMHEHE-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.85 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.031 |
| Compound Name | 2-Amino-3,4a,8,8a-tetrahydropteridine-4,7-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 181.06 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 181.06 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 181.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.10006099999999996 |
| Inchi | InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1,3-4H,(H,9,12)(H3,7,10,11,13) |
| Smiles | C1=NC2C(NC1=O)N=C(NC2=O)N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Litsea Verticillata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients