HIT ID: HIT212708358
Cas No: 133804-44-1
分子式: C11H16N2O3S
分子量: 256.32
常用名: Caldaret
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 0.021262417
IUPAC: 5-methyl-2-(piperazin-1-yl)benzene-1-sulfonic acid
IUPAC: 5-methyl-2-(piperazin-1-yl)benzene-1-sulfonic acid
SMILES: Cc1ccc(N2CCNCC2)c(c1)S(O)(=O)=O
SMILES: Cc1ccc(N2CCNCC2)c(c1)S(O)(=O)=O
InChI key: DCDFLGVJWQIRGH-UHFFFAOYSA-N