MDL | MFCD12026104 |
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InChIKey | JGUHLQZHMYZBJF-UHFFFAOYSA-N |
Inchi | InChI=1S/C17H25BN2O3/c1-16(2)17(3,4)23-18(22-16)14-5-7-15(8-6-14)20-11-9-19(13-21)10-12-20/h5-8,13H,9-12H2,1-4H3 |
SMILES | CC1(C)C(C)(C)OB(C2=CC=C(C=C2)N3CCN(CC3)C=O)O1 |
LogP | 1.90300 |
---|---|
PSA | 42.01000 |
精确分子量 | 316.19600 |
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氢键供体数量 | 0 |
氢键受体数量 | 5 |
可旋转化学键数量 | 3 |
重原子数量 | 23 |
海关编码 | 2934999090 |
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海关数据 |
中国海关编码:2934999090概述:2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% 申报要素:品名, 成分含量, 用途 Summary:2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
SMILES:O=CN1CCN(CC1)C2=CC=C(C=C2)B3OC(C)(C)C(C)(C)O3
ExSMILES:316.19595
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC17H25BN2O3