GLYCIDIDAZOLE

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key AWSWJRUMDBPELJ-UHFFFAOYSA-N
Smile Cc1ncc([N+](=O)[O-])n1CCOC(=O)CN(CC(=O)O)CC(=O)OCCn1c([N+](=O)[O-])cnc1C
InChI
InChI=1S/C18H23N7O10/c1-12-19-7-14(24(30)31)22(12)3-5-34-17(28)10-21(9-16(26)27)11-18(29)35-6-4-23-13(2)20-8-15(23)25(32)33/h7-8H,3-6,9-11H2,1-2H3,(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23N7O10
Molecular Weight 497.42
AlogP -0.31
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 215.06
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 35.0

Cross References

Resources Reference
ChEMBL CHEMBL4303058
EPA CompTox DTXSID20432743
ZINC ZINC000034026771
CONTENTS