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 CQZXWMWTIYBXIL-UHFFFAOYSA-N
Smiles O=C1CC2C(O1)Oc3c2ccc4ccccc34
InChI
InChI=1S/C14H10O3/c15-12-7-11-10-6-5-8-3-1-2-4-9(8)13(10)17-14(11)16-12/h1-6,11,14H,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10O3
Molecular Weight 226.23
AlogP 2.41
Hydrogen Bond Acceptor 3.0
Polar Surface Area 35.53
Heavy Atoms 17.0

Cross References

Resources Reference
ChEMBL CHEMBL2297082
PubChem 76331307