1.0 2020-03-10 16:59:36 UTC 2020-04-22 18:55:27 UTC BMDB0096002 BMDB96002 Noradrenochrome 5,6-dioxo-2,3,5,6-tetrahydro-3-Hydroxyindole 5,6-dioxo-2,3,5,6-tetrahydro-3-Indolol AdChr Noradrenochrome O-quinone Noradrenochrome oxidised Cyclized norepinephrine ortho-quinone C8H7NO3 165.1461 165.042593095 3-hydroxy-3,5,6,7-tetrahydro-2H-indole-5,6-dione 3-hydroxy-3,7-dihydro-2H-indole-5,6-dione OC1CN=C2CC(=O)C(=O)C=C12 InChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1,8,12H,2-3H2 PTQNKGWWIYGAAE-UHFFFAOYSA-N belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles and derivatives Azacyclic compounds Cyclohexenones Hydrocarbon derivatives Ketimines Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrolines Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Azacycle Carbonyl group Cyclic ketone Cyclohexenone Hydrocarbon derivative Imine Indole or derivatives Ketimine Ketone Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrroline Secondary alcohol Aliphatic heteropolycyclic compounds logp -0.57 ALOGPS logs -1.58 ALOGPS logp 0.26 ChemAxon pka_strongest_acidic 11.64 ChemAxon pka_strongest_basic 4.62 ChemAxon iupac 3-hydroxy-3,5,6,7-tetrahydro-2H-indole-5,6-dione ChemAxon average_mass 165.1461 ChemAxon mono_mass 165.042593095 ChemAxon smiles OC1CN=C2CC(=O)C(=O)C=C12 ChemAxon formula C8H7NO3 ChemAxon inchi InChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1,8,12H,2-3H2 ChemAxon inchikey PTQNKGWWIYGAAE-UHFFFAOYSA-N ChemAxon polar_surface_area 66.73 ChemAxon refractivity 41.54 ChemAxon polarizability 15.37 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 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::NmrOneD 98618 Specdb::NmrOneD 98619 Specdb::NmrOneD 98620 Specdb::NmrOneD 98621 Specdb::NmrOneD 98622 Specdb::NmrOneD 98623 Specdb::NmrOneD 98624 Specdb::NmrOneD 98625 Specdb::NmrOneD 98626 Specdb::NmrOneD 98627 Specdb::NmrOneD 98628 Specdb::NmrOneD 98629 Specdb::NmrOneD 98630 Specdb::NmrOneD 98631 Specdb::NmrOneD 98632 Specdb::NmrOneD 98633 Specdb::NmrOneD 98634 Specdb::NmrOneD 98635 Specdb::NmrOneD 98636 Specdb::NmrOneD 98637 Specdb::MsIr 2833 Specdb::MsIr 2834 Specdb::MsIr 2835 Specdb::CMs 18879 Specdb::CMs 40036 Specdb::CMs 137950 Specdb::CMs 145684 Specdb::MsMs 307933 Specdb::MsMs 307934 Specdb::MsMs 307935 Specdb::MsMs 351991 Specdb::MsMs 351992 Specdb::MsMs 351993 Specdb::MsMs 2803926 Specdb::MsMs 2803927 Specdb::MsMs 2803928 Specdb::MsMs 2875106 Specdb::MsMs 2875107 Specdb::MsMs 2875108 FDB029256 10176277 8351782 173732