1.0 2020-03-10 16:59:35 UTC 2020-04-22 18:55:26 UTC BMDB0096001 BMDB96001 Noradrenochrome o-semiquinone NAdcSq C8H8NO3 166.154 166.050418127 (3,6-dihydroxy-2,3-dihydro-1H-indol-5-yl)oxidanyl 3,6-dihydroxy-2,3-dihydro-1H-indol-5-yloxidanyl [O]C1=C(O)C=C2NCC(O)C2=C1 InChI=1S/C8H8NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,11-12H,3H2 OHRTXTGCGQYCMB-UHFFFAOYSA-N belongs to the class of organic compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolines Indolines 1,2-aminoalcohols 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Secondary alcohols Secondary alkylarylamines 1,2-aminoalcohol 1-hydroxy-2-unsubstituted benzenoid Alcohol Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Dihydroindole Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Aromatic heteropolycyclic compounds logp 0.22 ALOGPS logs -0.73 ALOGPS logp -0.051 ChemAxon pka_strongest_acidic 7.11 ChemAxon pka_strongest_basic 0.65 ChemAxon iupac (3,6-dihydroxy-2,3-dihydro-1H-indol-5-yl)oxidanyl ChemAxon average_mass 166.154 ChemAxon mono_mass 166.050418127 ChemAxon smiles [O]C1=C(O)C=C2NCC(O)C2=C1 ChemAxon formula C8H8NO3 ChemAxon inchi InChI=1S/C8H8NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,11-12H,3H2 ChemAxon inchikey OHRTXTGCGQYCMB-UHFFFAOYSA-N ChemAxon polar_surface_area 52.49 ChemAxon refractivity 55.28 ChemAxon polarizability 15.95 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 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 21440 Specdb::CMs 40035 Specdb::CMs 137691 Specdb::CMs 145425 Specdb::MsMs 313705 Specdb::MsMs 313706 Specdb::MsMs 313707 Specdb::MsMs 2683086 Specdb::MsMs 2683087 Specdb::MsMs 2683088 Specdb::MsMs 3022767 Specdb::MsMs 3022768 Specdb::MsMs 3022769 Specdb::NmrOneD 98598 Specdb::NmrOneD 98599 Specdb::NmrOneD 98600 Specdb::NmrOneD 98601 Specdb::NmrOneD 98602 Specdb::NmrOneD 98603 Specdb::NmrOneD 98604 Specdb::NmrOneD 98605 Specdb::NmrOneD 98606 Specdb::NmrOneD 98607 Specdb::NmrOneD 98608 Specdb::NmrOneD 98609 Specdb::NmrOneD 98610 Specdb::NmrOneD 98611 Specdb::NmrOneD 98612 Specdb::NmrOneD 98613 Specdb::NmrOneD 98614 Specdb::NmrOneD 98615 Specdb::NmrOneD 98616 Specdb::NmrOneD 98617 FDB029255