HYDANTOCIDIN

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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 RFZZKBWDDKMWNM-GTBMBKLPSA-N
Smiles OC[C@H]1O[C@@]2(NC(=O)NC2=O)[C@H](O)[C@@H]1O
InChI
InChI=1S/C7H10N2O6/c10-1-2-3(11)4(12)7(15-2)5(13)8-6(14)9-7/h2-4,10-12H,1H2,(H2,8,9,13,14)/t2-,3-,4-,7+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2O6
Molecular Weight 218.16
AlogP -2.61
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 128.12
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 15.0

Cross References

Resources Reference
ChEMBL CHEMBL2285997
PubChem 125429
SureChEMBL SCHEMBL8072284
CONTENTS