1.0 2010-04-08 22:13:06 UTC 2019-11-26 03:14:54 UTC FDB017465 Carnocin CP 5 Production by Carnobacterium piscicola CP5. Carnocin CP 5 is found in fishes. C23H19N3O5S 449.479 449.104541423 1-{3-[(4-acetamidobenzenesulfonyl)azanidyl]-1,4-dioxo-1,2,3,4-tetrahydronaphthalen-2-yl}-1lambda5-pyridin-1-ylium 1-{3-[(4-acetamidobenzenesulfonyl)azanidyl]-1,4-dioxo-2,3-dihydronaphthalen-2-yl}-1lambda5-pyridin-1-ylium 149983-81-3 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C1C(C(=O)C2=CC=CC=C2C1=O)[N+]1=CC=CC=C1 InChI=1S/C23H19N3O5S/c1-15(27)24-16-9-11-17(12-10-16)32(30,31)25-20-21(26-13-5-2-6-14-26)23(29)19-8-4-3-7-18(19)22(20)28/h2-14,20-21H,1H3,(H,24,27) QGGNFPVBCAGWRP-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). Naphthoquinones Organic compounds Benzenoids Naphthalenes Naphthoquinones Aromatic heteropolycyclic compounds Acetamides Acetanilides Aryl alkyl ketones Azacyclic compounds Benzenesulfonamides Benzenesulfonyl compounds Heteroaromatic compounds Hydrocarbon derivatives N-acetylarylamines Organic oxides Organic zwitterions Organopnictogen compounds Organosulfonic acids and derivatives Pyridinium derivatives Quinones Secondary carboxylic acid amides Sulfonyls Tetralins Acetamide Acetanilide Anilide Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Azacycle Benzenesulfonamide Benzenesulfonyl group Carbonyl group Carboxamide group Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Ketone Monocyclic benzene moiety N-acetylarylamine N-arylamide Naphthoquinone Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid or derivatives Organosulfur compound Pyridine Pyridinium Quinone Secondary carboxylic acid amide Sulfonyl Tetralin logp 0.55 ALOGPS logs -5.52 ALOGPS solubility 1.51e-03 g/l ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 9.69 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 1-{3-[(4-acetamidobenzenesulfonyl)azanidyl]-1,4-dioxo-1,2,3,4-tetrahydronaphthalen-2-yl}-1lambda5-pyridin-1-ylium ChemAxon average_mass 449.479 ChemAxon mono_mass 449.104541423 ChemAxon smiles CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C1C(C(=O)C2=CC=CC=C2C1=O)[N+]1=CC=CC=C1 ChemAxon formula C23H19N3O5S ChemAxon inchi InChI=1S/C23H19N3O5S/c1-15(27)24-16-9-11-17(12-10-16)32(30,31)25-20-21(26-13-5-2-6-14-26)23(29)19-8-4-3-7-18(19)22(20)28/h2-14,20-21H,1H3,(H,24,27) ChemAxon inchikey QGGNFPVBCAGWRP-UHFFFAOYSA-N ChemAxon polar_surface_area 110.49 ChemAxon refractivity 118.5 ChemAxon polarizability 43.28 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 134656 Specdb::CMs 142390 Specdb::NmrOneD 25182 Specdb::NmrOneD 25183 Specdb::NmrOneD 25184 Specdb::NmrOneD 25185 Specdb::NmrOneD 25186 Specdb::NmrOneD 25187 Specdb::NmrOneD 25188 Specdb::NmrOneD 25189 Specdb::NmrOneD 25190 Specdb::NmrOneD 25191 Specdb::NmrOneD 25192 Specdb::NmrOneD 25193 Specdb::NmrOneD 25194 Specdb::NmrOneD 25195 Specdb::NmrOneD 25196 Specdb::NmrOneD 25197 Specdb::NmrOneD 25198 Specdb::NmrOneD 25199 Specdb::NmrOneD 25200 Specdb::NmrOneD 25201 Specdb::MsMs 1324582 Specdb::MsMs 1324583 Specdb::MsMs 1324584 Specdb::MsMs 1438939 Specdb::MsMs 1438940 Specdb::MsMs 1438941 Specdb::MsMs 2469493 Specdb::MsMs 2469494 Specdb::MsMs 2469495 Specdb::MsMs 2492147 Specdb::MsMs 2492148 Specdb::MsMs 2492149 HMDB38222 #<Reference:0x000055ce302575e8> Fishes Unknown generic