HIT ID: HIT100797921

Cas No: 2431889-83-5

分子式: C16H23NO6

分子量: 325.361

常用名: 2-(3-hexyl-4-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid, 2-(3-hexyl-2,5-dihydro-4-methyl-2,5-dioxo-1H-pyrro

氢键受体数 (HBA): 6

氢键供体数 (HBD): 2

LogP: 2.295

IUPAC: 2-(3-hexyl-4-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanedioic acid

SMILES: CCCCCCC1=C(C)C(=O)N(C(CCC(O)=O)C(O)=O)C1=O |c:6|

InChI key: CJUNIVCUXIEJAF-UHFFFAOYSA-N