{"PropertyTable":{"Properties":[{"CID":10281,"MolecularFormula":"C10H12O2","MolecularWeight":"164.20","SMILES":"CC1=CC(=O)C(=CC1=O)C(C)C","ConnectivitySMILES":"CC1=CC(=O)C(=CC1=O)C(C)C","InChI":"InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3","InChIKey":"KEQHJBNSCLWCAE-UHFFFAOYSA-N","ExactMass":"164.083729621","MonoisotopicMass":"164.083729621","TPSA":34.1,"Charge":0,"HBondDonorCount":0,"HBondAcceptorCount":2,"RotatableBondCount":1,"HeavyAtomCount":12,"Title":"Thymoquinone"}]}}