Structure

InChI Key VKDGNNYJFSHYKD-UHFFFAOYSA-N
Smile Cl.NCCCC(N)(C(=O)O)C(F)F
InChI
InChI=1S/C6H12F2N2O2.ClH/c7-4(8)6(10,5(11)12)2-1-3-9;/h4H,1-3,9-10H2,(H,11,12);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13ClF2N2O2
Molecular Weight 218.63
AlogP -0.23
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 89.34
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 12.0

Cross References

Resources Reference
ChEMBL CHEMBL536971
EPA CompTox DTXSID4045765
FDA SRS UO07O10TCJ
PubChem 57004
SureChEMBL SCHEMBL3022583