HIT ID: HIT211998483
Cas No: 114084-78-5
分子式: C9H23NO7P2
分子量: 319.231
常用名: Ibandronic acid
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: -2.4814348
IUPAC: {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid
IUPAC: {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid
SMILES: CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O
SMILES: CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O
InChI key: MPBVHIBUJCELCL-UHFFFAOYSA-N