Theophylline monohydrate
HIT212650186
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HIT ID: HIT212650186
Cas No: 5967-84-0
分子式: C7H10N4O3
分子量: 198.182
常用名: Theophylline monohydrate
氢键受体数 (HBA): 3
氢键供体数 (HBD): 3
LogP: -2.7
IUPAC: 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrate
IUPAC: 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrate
SMILES: O.Cn1c2nc[nH]c2c(=O)n(C)c1=O
SMILES: O.Cn1c2nc[nH]c2c(=O)n(C)c1=O
InChI key: INQSMEFCAIHTJG-UHFFFAOYSA-N
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