1.0 2016-09-30 23:07:53 UTC 2020-04-22 15:13:18 UTC BMDB0004094 BMDB04094 Indoxyl 1H-indol-3-Ol C8H7NO 133.1473 133.052763851 1H-indol-3-ol indoxyl 480-93-3 OC1=CNC2=CC=CC=C12 InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H PCKPVGOLPKLUHR-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group. Organic compounds Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles Hydroxyindoles Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Indoles Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Substituted pyrroles Aromatic heteropolycyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Hydroxyindole Indole Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole Aromatic heteropolycyclic compounds a small molecule hydroxyindoles Solid logp 1.29 ALOGPS logs -1.24 ALOGPS logp 1.77 ChemAxon pka_strongest_acidic 9.15 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 1H-indol-3-ol ChemAxon average_mass 133.1473 ChemAxon mono_mass 133.052763851 ChemAxon smiles OC1=CNC2=CC=CC=C12 ChemAxon formula C8H7NO ChemAxon inchi InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H ChemAxon inchikey PCKPVGOLPKLUHR-UHFFFAOYSA-N ChemAxon polar_surface_area 36.02 ChemAxon refractivity 39.13 ChemAxon polarizability 13.78 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 2 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::MsIr 2126 Specdb::MsIr 2127 Specdb::MsIr 2128 Specdb::CMs 1375 Specdb::CMs 10025 Specdb::CMs 31499 Specdb::CMs 38713 Specdb::CMs 146102 Specdb::NmrTwoD 1924 Specdb::MsMs 2358 Specdb::MsMs 2359 Specdb::MsMs 2360 Specdb::MsMs 288136 Specdb::MsMs 288137 Specdb::MsMs 288138 Specdb::MsMs 327160 Specdb::MsMs 327161 Specdb::MsMs 327162 Specdb::MsMs 2229707 Specdb::MsMs 2229760 Specdb::MsMs 2232026 Specdb::MsMs 2232188 Specdb::MsMs 2234342 Specdb::MsMs 2234582 Specdb::MsMs 2436472 Specdb::MsMs 2436473 Specdb::MsMs 2436474 Specdb::MsMs 2526549 Specdb::MsMs 2526550 Specdb::MsMs 2526551 Specdb::NmrOneD 1989 Specdb::NmrOneD 41582 Specdb::NmrOneD 41583 Specdb::NmrOneD 41584 Specdb::NmrOneD 41585 Specdb::NmrOneD 41586 Specdb::NmrOneD 41587 Specdb::NmrOneD 41588 Specdb::NmrOneD 41589 Specdb::NmrOneD 41590 Specdb::NmrOneD 41591 Specdb::NmrOneD 41592 Specdb::NmrOneD 41593 Specdb::NmrOneD 41594 Specdb::NmrOneD 41595 Specdb::NmrOneD 41596 Specdb::NmrOneD 41597 Specdb::NmrOneD 41598 Specdb::NmrOneD 41599 Specdb::NmrOneD 41600 Specdb::NmrOneD 41601 Specdb::NmrOneD 166365 Specdb::NmrOneD 166563 FDB023310 45861 50591 C05658 C00025147 17840 Indoxyl 7014 Stoppani, Andres O. M. Formation of indoxyl from nitro and amino derivatives of benzene. Revista de la Sociedad Argentina de Biologia (1943), 19 421-34.