Synonyms
Molecule Category Salt-form
UNII O5DDB9Z95G
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 ...

Structure

InChI Key MNWBNISUBARLIT-UHFFFAOYSA-N
Smiles [Na+].[C-]#N
InChI
InChI=1S/CN.Na/c1-2;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula CNNa
Molecular Weight 49.01
AlogP 0.1
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 2.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Drosophila melanogaster
- 1060000-1690000 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1644697
FDA SRS O5DDB9Z95G
PubChem 8929
SureChEMBL SCHEMBL387