(E)-3,4-STILBENDIOL

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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 MLQDDSFDIGRHMD-VOTSOKGWSA-N
Smiles Oc1ccc(\C=C\c2ccccc2)cc1O
InChI
InChI=1S/C14H12O2/c15-13-9-8-12(10-14(13)16)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12O2
Molecular Weight 212.24
AlogP 3.33
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Cross References

Resources Reference
ChEMBL CHEMBL100922
PubChem 10176710
SureChEMBL SCHEMBL1821395
CONTENTS