Structure

InChI Key GPDAJAWUGSTOSA-UHFFFAOYSA-N
Smile CC(C)(C)NCC(O)c1ccc(O)c(CO)n1.Cl
InChI
InChI=1S/C12H20N2O3.ClH/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;/h4-5,11,13,15-17H,6-7H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22Cl2N2O3
Molecular Weight 313.23
AlogP 0.7
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 85.61
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEBI 32012
ChEMBL CHEMBL3989646
FDA SRS J6793T658K
PubChem 68658
SureChEMBL SCHEMBL120928