7-Hydroxyaristolochic acid A
HIT212664996
sdf文件结构编辑类似物检索
HIT ID: HIT212664996
Cas No: 79185-75-4
分子式: C17H11NO8
分子量: 357.274
常用名: 7-Hydroxyaristolochic acid A
氢键受体数 (HBA): 8
氢键供体数 (HBD): 2
LogP: 2.7117634
IUPAC: 9-hydroxy-8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
IUPAC: 9-hydroxy-8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
SMILES: COc1c(O)ccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
SMILES: COc1c(O)ccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
InChI key: UCLGCTLOEZZSLA-UHFFFAOYSA-N
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