基本情報
- 標準SMILES
Cc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1- InChIKey
RZXRGJSSPXYHIG-UHFFFAOYSA-N- 分子式
- C14H10F3NO3
- 平均分子量
- 297.23 g/mol
名称と識別子
- 優先名称
- 1-Cyclopropyl-5-methyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-6,7,8-trifluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
名称と別名
SCHEMBL5868648RZXRGJSSPXYHIG-UHFFFAOYSA-N1-cyclopropyl-5-methyl-6,7,8-trifluoro -1,4-dihydro-4-oxoquinoline-3-carboxylic acid1-cyclopropyl-5-methyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid1-cyclopropyl-6,7, 8-trifluoro-5-methyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid1-cyclopropyl-6,7,8-trifluoro-5-methyl-1,4,-dihydro-4 -oxoquinoline-3-carboxylic acid1-cyclopropyl-6,7,8-trifluoro-5-methyl-1,4,-dihydro-4-oxoquinoline-3-carboxylic acid1-cyclopropyl-6,7,8-trifluoro-5-methyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid5-methyl-1-cyclopropyl-6,7,8-trifluoro -1,4-dihydro-4-oxoquinoline-3-carboxylic acid
データベース識別子
- PubChem CID
- 14651258
- Nikkaji
- J393.862J
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 57.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 2
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 520
関連反応
31 件
化合物ノート
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