Structure

InChI Key PIGYMBULXKLTCJ-UHSSARMYSA-N
Smiles Cl.N=C(N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChI
InChI=1S/C8H13N5O4.ClH/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8;/h2-5,8,14-16H,1H2,(H3,9,10);1H/t3-,4-,5-,8-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14ClN5O4
Molecular Weight 279.68
AlogP -2.83
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 150.5
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEMBL CHEMBL2107375
FDA SRS D22JZE246P
PubChem 451447
SureChEMBL SCHEMBL4249820