UNII 11DXB629VZ
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 ZKQDCIXGCQPQNV-UHFFFAOYSA-N
Smiles [Ca+2].[O-]Cl.[O-]Cl
InChI
InChI=1S/Ca.2ClO/c;2*1-2/q+2;2*-1

Physicochemical Descriptors

Property Name Value
Molecular Formula CaCl2O2
Molecular Weight 142.98
AlogP 0.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 2.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Fusarium oxysporum f. sp. cubense race 4 incubated with 10'2 spore/ml for 5 min measured after 4 days Fusarium oxysporum f. sp. cubense race 4 None
Antifungal activity against Fusarium oxysporum f. sp. cubense race 4 at 10 times recommended dose incubated with 10'2 spore/ml for 5 min measured after 4 days Fusarium oxysporum f. sp. cubense race 4 None

Cross References

Resources Reference
ChEMBL CHEMBL2251447
FDA SRS 11DXB629VZ
PubChem 24504
SureChEMBL SCHEMBL20269