Tolcapone D7
HIT212671529
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HIT ID: HIT212671529
Cas No:
分子式: C14H11NO5
分子量: 280.287
常用名: Tolcapone D7
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.2788737
IUPAC: 5-[4-(2H3)methyl(2,3,5,6-2H4)benzoyl]-3-nitrobenzene-1,2-diol
IUPAC: 5-[4-(2H3)methyl(2,3,5,6-2H4)benzoyl]-3-nitrobenzene-1,2-diol
SMILES: [2H]c1c([2H])c(c([2H])c([2H])c1C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O)C([2H])([2H])[2H]
SMILES: [2H]c1c([2H])c(c([2H])c([2H])c1C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O)C([2H])([2H])[2H]
InChI key: MIQPIUSUKVNLNT-AAYPNNLASA-N
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