Molecule Category Free-form
UNII 0C143929GK
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 OSORMYZMWHVFOZ-UHFFFAOYSA-N
Smiles O=C(OCCc1ccccc1)c2ccccc2
InChI
InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14O2
Molecular Weight 226.27
AlogP 3.59
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 26.3
Heavy Atoms 17.0

Cross References

Resources Reference
ChEMBL CHEMBL2252208
FDA SRS 0C143929GK
PubChem 7194
SureChEMBL SCHEMBL168823