Molecular Properties List
Molecular properties (api/molprops)
GET /api/molprops/?format=api
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"heavy_atom_mol_wt": 466.3870000000003,
"nhoh_count": 2,
"no_count": 8,
"num_h_acceptors": 8,
"num_h_donors": 2,
"num_het_atoms": 10,
"num_rot_bonds": 7,
"num_val_electrons": 172,
"ring_count": 3,
"tpsa": 111.16000000000001
}
}
]
}