UNII | 462J071RD7 |
Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
InChI Key | MEFOUWRMVYJCQC-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C14H17N5O7S2 | |
Molecular Weight | 431.44 | |
AlogP | 1.15 | |
Hydrogen Bond Acceptor | 10.0 | |
Hydrogen Bond Donor | 2.0 | |
Number of Rotational Bond | 7.0 | |
Polar Surface Area | 183.3 | |
Molecular species | ACID | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 28.0 |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL1867091 | |
FDA SRS | 462J071RD7 | |
PubChem | 91779 | |
SureChEMBL | SCHEMBL37660 | |
ZINC | ZINC01532073 |