1.0 2016-09-30 23:19:55 UTC 2020-04-22 15:16:46 UTC BMDB0006044 BMDB06044 Norsalsolinol Norsalsolinol hydrobromide Norsalsolinol hydrochloride Norsalsolinol, 3H-labeled CPD 1,2,3,4-tetrahydro-6,7-Isoquinolinediol 6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline 6,7-Dihydroxytetrahydroisoquinoline tetrahydro-6,7-Isoquinolinediol Norsalsolinol C9H11NO2 165.1891 165.078978601 1,2,3,4-tetrahydroisoquinoline-6,7-diol norsalsolinol 34827-33-3 OC1=C(O)C=C2CNCCC2=C1 InChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2 MBFUSGLXKQWVDW-UHFFFAOYSA-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 Solid logp -0.13 ALOGPS logs -1.14 ALOGPS logp 0.58 ChemAxon pka_strongest_acidic 9.58 ChemAxon pka_strongest_basic 8.64 ChemAxon iupac 1,2,3,4-tetrahydroisoquinoline-6,7-diol ChemAxon average_mass 165.1891 ChemAxon mono_mass 165.078978601 ChemAxon smiles OC1=C(O)C=C2CNCCC2=C1 ChemAxon formula C9H11NO2 ChemAxon inchi InChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2 ChemAxon inchikey MBFUSGLXKQWVDW-UHFFFAOYSA-N ChemAxon polar_surface_area 52.49 ChemAxon refractivity 46.58 ChemAxon polarizability 17.28 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::MsIr 2356 Specdb::MsIr 2357 Specdb::MsIr 2358 Specdb::CMs 17262 Specdb::CMs 38946 Specdb::CMs 137121 Specdb::CMs 144855 Specdb::MsMs 304165 Specdb::MsMs 304166 Specdb::MsMs 304167 Specdb::MsMs 347290 Specdb::MsMs 347291 Specdb::MsMs 347292 Specdb::MsMs 2304117 Specdb::MsMs 2304118 Specdb::MsMs 2304119 Specdb::MsMs 2658094 Specdb::MsMs 2658095 Specdb::MsMs 2658096 Specdb::NmrOneD 61592 Specdb::NmrOneD 61593 Specdb::NmrOneD 61594 Specdb::NmrOneD 61595 Specdb::NmrOneD 61596 Specdb::NmrOneD 61597 Specdb::NmrOneD 61598 Specdb::NmrOneD 61599 Specdb::NmrOneD 61600 Specdb::NmrOneD 61601 Specdb::NmrOneD 61602 Specdb::NmrOneD 61603 Specdb::NmrOneD 61604 Specdb::NmrOneD 61605 Specdb::NmrOneD 61606 Specdb::NmrOneD 61607 Specdb::NmrOneD 61608 Specdb::NmrOneD 61609 Specdb::NmrOneD 61610 Specdb::NmrOneD 61611 FDB023817 33891 36937 110006 Norsalsolinol