Molecule Category | Free-form |
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 | VFUPNPFGBGLUSA-UHFFFAOYSA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C8H13NO6P2 | |
Molecular Weight | 281.14 | |
AlogP | 0.61 | |
Hydrogen Bond Acceptor | 7.0 | |
Hydrogen Bond Donor | 5.0 | |
Number of Rotational Bond | 5.0 | |
Polar Surface Area | 146.71 | |
Molecular species | ACID | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 17.0 |
Resources | Reference | |
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ChEMBL | CHEMBL2251368 | |
PubChem | 21514036 | |
SureChEMBL | SCHEMBL11053978 |