MolDB6 demo: details for selected entry

1-aminopropan-2-ol (4)
hit structure

FormulaC3H9NO
MW75.11
InChIKeyHXKKHQJGJAFBHI-UHFFFAOYSA-N
pubchem_compound_cid4
pubchem_compound_canonicalized1
pubchem_cactvs_complexity23
pubchem_cactvs_hbond_acceptor2
pubchem_cactvs_hbond_donor2
pubchem_cactvs_rotatable_bond1
pubchem_cactvs_subskeysAAADccBCIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACBThgAYCAABAAgAAAAAAAAAAAAAAAAAAAIAAAAACEAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
pubchem_iupac_openeye_name1-aminopropan-2-ol
pubchem_iupac_cas_name1-amino-2-propanol
pubchem_iupac_systematic_name1-azanylpropan-2-ol
pubchem_iupac_traditional_name1-aminopropan-2-ol
pubchem_iupac_inchiInChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
pubchem_iupac_inchikeyHXKKHQJGJAFBHI-UHFFFAOYSA-N
pubchem_xlogp3_aa0
pubchem_exact_mass75.068414
pubchem_molecular_formulaC3H9NO
pubchem_molecular_weight75.10966
pubchem_openeye_can_smilesCC(CN)O
pubchem_openeye_iso_smilesCC(CN)O
pubchem_cactvs_tpsa46.2
pubchem_monoisotopic_weight75.068414
pubchem_total_charge0
pubchem_heavy_atom_count5
pubchem_atom_def_stereo_count0
pubchem_atom_udef_stereo_count1
pubchem_bond_def_stereo_count0
pubchem_bond_udef_stereo_count0
pubchem_isotopic_atom_count0
pubchem_component_count1
pubchem_cactvs_tauto_count1
pubchem_coordinate_type1
pubchem_bondannotations3 6 3
pubchem_xlogp3-1