SALICYLALDEHYDE BENZENESULFONYLHYDRAZONE

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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 UOUQWBOLFJAYRB-RVDMUPIBSA-N
Smiles CN(\N=C\c1ccccc1O)S(=O)(=O)c2ccccc2
InChI
InChI=1S/C14H14N2O3S/c1-16(15-11-12-7-5-6-10-14(12)17)20(18,19)13-8-3-2-4-9-13/h2-11,17H,1H3/b15-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14N2O3S
Molecular Weight 290.34
AlogP 2.35
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 78.35
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEMBL CHEMBL2283539
CONTENTS