Bornesitol
HIT211999980
sdf文件结构编辑类似物检索
HIT ID: HIT211999980
Cas No: 1414376-85-4
分子式: C25H31I2N
分子量: 599.339
常用名: Bornesitol
氢键受体数 (HBA): 0
氢键供体数 (HBD): 0
LogP: 2.367943
IUPAC: {[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}({2'-iodo-[1,1'-biphenyl]-4-yl}methyl)dimethylazanium iodide
IUPAC: {[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}({2'-iodo-[1,1'-biphenyl]-4-yl}methyl)dimethylazanium iodide
SMILES: [I-].CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1I)=CC2 |c:27|
SMILES: [I-].CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1I)=CC2 |c:27|
InChI key: UHSBTJDUAWBQGE-IUQUCOCYSA-M
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Mcule
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