1.0 2010-04-08 22:13:45 UTC 2025-11-19 02:11:46 UTC FDB018489 Cucurbita maxima Trysin inhibitor III Isolated from squash seeds. Cucurbita maxima Trysin inhibitor III is found in fruits. CMTI-III Cucurbita maxima Trysin inhibitor III C6H2Cl4O2 247.88 245.8808901 tetrachlorobenzene-1,4-diol tetrachlorohydroquinone 79044-57-8 OC1=C(Cl)C(Cl)=C(O)C(Cl)=C1Cl InChI=1S/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H STOSPPMGXZPHKP-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,4-dihydroxy-2-halobenzenoids. These are aromatic compounds containing a 1,-2-dihydroxybenzene moiety, which carries an halogen atom at the ring 2-position. 1,4-dihydroxy-2-halobenzenoids Organic compounds Benzenoids Phenols 1,4-dihydroxy-2-halobenzenoids Aromatic homomonocyclic compounds Aryl chlorides Chlorobenzenes Chlorohydroquinones Hydrocarbon derivatives M-chlorophenols O-chlorophenols Organochlorides Organooxygen compounds 1,4-dihydroxy-2-halobenzenoid 2-chlorophenol 2-halophenol 3-chlorophenol 3-halophenol Aromatic homomonocyclic compound Aryl chloride Aryl halide Chlorobenzene Chlorohydroquinone Halobenzene Hydrocarbon derivative Hydroquinone Monocyclic benzene moiety Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound chlorohydroquinones tetrachlorobenzene logp 4.24 ALOGPS logs -2.87 ALOGPS solubility 3.32e-01 g/l ALOGPS logp 3.78 ChemAxon pka_strongest_acidic 5.58 ChemAxon pka_strongest_basic -8.1 ChemAxon iupac tetrachlorobenzene-1,4-diol ChemAxon average_mass 247.88 ChemAxon mono_mass 245.8808901 ChemAxon smiles OC1=C(Cl)C(Cl)=C(O)C(Cl)=C1Cl ChemAxon formula C6H2Cl4O2 ChemAxon inchi InChI=1S/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H ChemAxon inchikey STOSPPMGXZPHKP-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 49.24 ChemAxon polarizability 19.28 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 98922 Specdb::MsMs 98923 Specdb::MsMs 98924 Specdb::MsMs 163965 Specdb::MsMs 163966 Specdb::MsMs 163967 Specdb::CMs 112539 Specdb::CMs 126048 Specdb::CMs 990061 Specdb::CMs 990062 Specdb::CMs 990063 Specdb::CMs 990064 Fruits Unknown generic