pubchempy.Compound

Object_Properties:

namecomment
'class',
'delattr',
'dict',
'dir',
'doc',
'eq',
'format',
'ge',
'getattribute',
'gt',
'hash',
'init',
'init_subclass',
'le',
'lt',
'module',
'ne',
'new',
'reduce',
'reduce_ex',
'repr',
'setattr',
'sizeof',
'str',
'subclasshook',
'weakref',
'_setup_atoms',
'_setup_bonds',
'aids',
'atom_stereo_count',
'atoms',
'bond_stereo_count',
'bonds',
'cactvs_fingerprint',
'canonical_smiles',SMILES
'charge',
'cid',
'complexity',
'conformer_id_3d',
'conformer_rmsd_3d',
'coordinate_type',
'covalent_unit_count',
'defined_atom_stereo_count',
'defined_bond_stereo_count',
'effective_rotor_count_3d',
'elements',
'exact_mass',
'feature_selfoverlap_3d',
'fingerprint',
'from_cid',
'h_bond_acceptor_count',
'h_bond_donor_count',
'heavy_atom_count',
'inchi',
'inchikey',
'isomeric_smiles',
'isotope_atom_count',
'iupac_name',IUPAC name
'mmff94_energy_3d',
'mmff94_partial_charges_3d',
'molecular_formula',Formula 分子式
'molecular_weight',摩尔质量
'monoisotopic_mass',
'multipoles_3d',
'pharmacophore_features_3d',
'record',
'rotatable_bond_count',
'shape_fingerprint_3d',
'shape_selfoverlap_3d',
'sids',
'synonyms',Synonyms
'to_dict',
'to_series',
'tpsa',
'undefined_atom_stereo_count',
'undefined_bond_stereo_count',
'volume_3d',
'xlogp'

pcp.get_cids(identifier, namespace='name')

eg: pcp.get_cids('1344-59-8')