N-(3,5-DICHLOROPHENYL)THIAZOL-2-AMINE

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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 ...

Structure

InChI Key BVWWJELVEOJNCG-UHFFFAOYSA-N
Smiles Clc1cc(Cl)cc(Nc2nccs2)c1
InChI
InChI=1S/C9H6Cl2N2S/c10-6-3-7(11)5-8(4-6)13-9-12-1-2-14-9/h1-5H,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H6Cl2N2S
Molecular Weight 245.13
AlogP 3.71
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 53.16
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 14.0

Cross References

Resources Reference
ChEMBL CHEMBL2285814
PubChem 57061231
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