THEOBROMINE
| SMILES | Cn1cnc2c1c(=O)[nH]c(=O)n2C |
| InChIKey | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 0 |
| Molecular weight (Da) | 180.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |