1.0 2020-03-10 17:02:07 UTC 2020-04-22 18:56:24 UTC BMDB0096156 BMDB96156 Salsolinol (-)-Salsolinol 1,2,3,4-tetrahydro-1-Methyl-(S)-6,7-isoquinolinediol Salsolinol, (S)-isomer Salsolinol hydrobromide Salsolinol, (+-)-isomer 1-Methyl-6,7-dihydroxytetrahydroisoquinoline Salsolinol C10H13NO2 179.2157 179.094628665 (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol salsolinol 27740-96-1 C[C@@H]1NCCC2=CC(O)=C(O)C=C12 InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1 IBRKLUSXDYATLG-LURJTMIESA-N belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. Organic compounds Organoheterocyclic compounds Tetrahydroisoquinolines Tetrahydroisoquinolines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds 1-hydroxy-2-unsubstituted benzenoid Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Tetrahydroisoquinoline Aromatic heteropolycyclic compounds Isoquinoline alkaloids isoquinolines logp 0.16 ALOGPS logs -1.43 ALOGPS logp 1.07 ChemAxon pka_strongest_acidic 9.52 ChemAxon pka_strongest_basic 8.49 ChemAxon iupac (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol ChemAxon average_mass 179.2157 ChemAxon mono_mass 179.094628665 ChemAxon smiles C[C@@H]1NCCC2=CC(O)=C(O)C=C12 ChemAxon formula C10H13NO2 ChemAxon inchi InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1 ChemAxon inchikey IBRKLUSXDYATLG-LURJTMIESA-N ChemAxon polar_surface_area 52.49 ChemAxon refractivity 51 ChemAxon polarizability 19.37 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 5953 Specdb::CMs 47652 Specdb::CMs 170934 Specdb::NmrOneD 51082 Specdb::NmrOneD 51083 Specdb::NmrOneD 51084 Specdb::NmrOneD 51085 Specdb::NmrOneD 51086 Specdb::NmrOneD 51087 Specdb::NmrOneD 51088 Specdb::NmrOneD 51089 Specdb::NmrOneD 51090 Specdb::NmrOneD 51091 Specdb::NmrOneD 51092 Specdb::NmrOneD 51093 Specdb::NmrOneD 51094 Specdb::NmrOneD 51095 Specdb::NmrOneD 51096 Specdb::NmrOneD 51097 Specdb::NmrOneD 51098 Specdb::NmrOneD 51099 Specdb::NmrOneD 51100 Specdb::NmrOneD 51101 Specdb::MsMs 241306 Specdb::MsMs 241307 Specdb::MsMs 241308 Specdb::MsMs 243361 Specdb::MsMs 243362 Specdb::MsMs 243363 Specdb::MsMs 440167 Specdb::MsMs 445353 Specdb::MsMs 445354 Specdb::MsMs 2248692 Specdb::MsMs 2819208 Specdb::MsMs 2819209 Specdb::MsMs 2819210 Specdb::MsMs 2890561 Specdb::MsMs 2890562 Specdb::MsMs 2890563 82699 C00001915 113 91588 C09642 FDB000430