HIT ID: HIT218847278
Cas No: 1811539-31-7
分子式: C27H22N2O5
分子量: 454.482
常用名: 6-Carboxy-JF5252
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3,6-bis(azetidin-1-yl)-9-(5-carboxy-2-carboxylatophenyl)-10lambda4-xanthen-10-ylium
IUPAC: 3,6-bis(azetidin-1-yl)-9-(5-carboxy-2-carboxylatophenyl)-10lambda4-xanthen-10-ylium
SMILES: OC(=O)c1ccc(C([O-])=O)c(c1)-c1c2ccc(cc2[o+]c2cc(ccc12)N1CCC1)N1CCC1
SMILES: OC(=O)c1ccc(C([O-])=O)c(c1)-c1c2ccc(cc2[o+]c2cc(ccc12)N1CCC1)N1CCC1
InChI key: LUACGYYUHJRRQD-UHFFFAOYSA-N