Structure

InChI Key BAQAVOSOZGMPRM-KBFHZYTNSA-N
Smile OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1Cl
InChI
InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5+,6+,7-,8+,9+,10+,11-,12+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19Cl3O8
Molecular Weight 397.64
AlogP -1.66
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 128.84
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107529
FDA SRS 96K6UQ3ZD4
PubChem 71485
ZINC ZINC000004214346