HIT ID: HIT212033421
Cas No: 496868-77-0
分子式: C25H26O3
分子量: 374.48
常用名: Adarotene
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 5.828388
IUPAC: (2E)-3-[3'-(adamantan-1-yl)-4'-hydroxy-[1,1'-biphenyl]-4-yl]prop-2-enoic acid
IUPAC: (2E)-3-[3'-(adamantan-1-yl)-4'-hydroxy-[1,1'-biphenyl]-4-yl]prop-2-enoic acid
SMILES: OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2
SMILES: OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2
InChI key: QAWBIEIZDDIEMW-FPYGCLRLSA-N
