HIT ID: HIT105036336
Cas No: ng
分子式: C13H12Cl2O5
分子量: 319.13
常用名: Dichlorodiaporthin
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 2.85
IUPAC: 3-[(2R)-3,3-dichloro-2-hydroxypropyl]-8-hydroxy-6-methoxy-1H-isochromen-1-one
IUPAC: 3-[(2R)-3,3-dichloro-2-hydroxypropyl]-8-hydroxy-6-methoxy-1H-isochromen-1-one
SMILES: COc1cc(O)c2c(c1)cc(C[C@@H](O)C(Cl)Cl)oc2=O
SMILES: COc1cc(O)c2c(c1)cc(C[C@@H](O)C(Cl)Cl)oc2=O
InChI key: RCUFLECOBNVNRE-SNVBAGLBSA-N
