{"atc_classifications": [], "availability_type": -1, "biotherapeutic": null, "black_box_warning": 0, "chemical_probe": 0, "chirality": -1, "cross_references": [], "dosed_ingredient": false, "first_approval": null, "first_in_class": -1, "helm_notation": null, "inorganic_flag": -1, "max_phase": null, "molecule_chembl_id": "CHEMBL4542568", "molecule_hierarchy": {"active_chembl_id": "CHEMBL4542568", "molecule_chembl_id": "CHEMBL4542568", "parent_chembl_id": "CHEMBL4542568"}, "molecule_properties": {"alogp": "1.81", "aromatic_rings": 2, "full_molformula": "C11H10FNO2", "full_mwt": "207.20", "hba": 2, "hbd": 1, "heavy_atoms": 15, "mw_freebase": "207.20", "np_likeness_score": "-0.67", "num_ro5_violations": 0, "psa": "42.09", "qed_weighted": "0.82", "ro3_pass": "Y", "rtb": 2}, "molecule_structures": {"canonical_smiles": "COCc1cc(=O)c2cc(F)ccc2[nH]1", "molfile": "\n     RDKit          2D\n\n 15 16  0  0  0  0  0  0  0  0999 V2000\n    3.3336   -2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4680   -2.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4688   -1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6032   -0.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6040    0.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7384    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7392    1.7044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1280    0.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9936    0.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8600    0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7256    0.7072    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8608   -0.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9952   -1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1288   -0.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7368   -1.2956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  2  3  1  0\n  3  4  1  0\n  4  5  2  0\n  5  6  1  0\n  6  7  2  0\n  6  8  1  0\n  8  9  2  0\n  9 10  1  0\n 10 11  1  0\n 10 12  2  0\n 12 13  1  0\n 13 14  2  0\n 14 15  1  0\n 15  4  1  0\n 14  8  1  0\nM  END\n> <chembl_id>\nCHEMBL4542568\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C11H10FNO2/c1-15-6-8-5-11(14)9-4-7(12)2-3-10(9)13-8/h2-5H,6H2,1H3,(H,13,14)", "standard_inchi_key": "GSJFKYNZLXPCDD-UHFFFAOYSA-N"}, "molecule_synonyms": [], "molecule_type": "Unknown", "natural_product": 0, "oral": false, "orphan": -1, "parenteral": false, "polymer_flag": 0, "pref_name": null, "prodrug": -1, "structure_type": "MOL", "therapeutic_flag": false, "topical": false, "usan_stem": null, "usan_stem_definition": null, "usan_substem": null, "usan_year": null, "veterinary": -1, "withdrawn_flag": false}