rac Desmethyl Citalopram Hydrochloride
HIT212971284
sdf文件结构编辑类似物检索
HIT ID: HIT212971284
Cas No: 97743-99-2
分子式: C19H20ClFN2O
分子量: 346.83
常用名: rac Desmethyl Citalopram Hydrochloride
常用名: rac Desmethyl Citalopram Hydrochloride
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 3.3812563
IUPAC: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile hydrochloride
IUPAC: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile hydrochloride
SMILES: Cl.CNCCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
SMILES: Cl.CNCCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
InChI key: DYIZNULSIBGJPJ-UHFFFAOYSA-N
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