1.0 2020-03-10 17:03:26 UTC 2020-04-22 18:56:55 UTC BMDB0096236 BMDB96236 chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a Chondroitin sulfuric acid e (galnac4,6Dis-glca), precursor 5a Chondroitin sulphate e (galnac4,6Dis-glca), precursor 5a Chondroitin sulphuric acid e (galnac4,6Dis-glca), precursor 5a C7H9N3O 151.169 151.074561922 N-amino-N'-phenylcarbamimidic acid N-amino-N'-phenylcarbamimidic acid NNC(O)=NC1=CC=CC=C1 InChI=1S/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11) MOCKWYUCPREFCZ-UHFFFAOYSA-N belongs to the class of organic compounds known as n-phenylureas. N-phenylureas are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. Organic compounds Benzenoids Benzene and substituted derivatives N-phenylureas N-phenylureas Carbonyl compounds Hydrocarbon derivatives Organic carbonic acids and derivatives Organic oxides Organopnictogen compounds Semicarbazides Aromatic homomonocyclic compound Carbonic acid derivative Carbonyl group Hydrocarbon derivative N-phenylurea Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Semicarbazide Aromatic homomonocyclic compounds logp 0.40 ALOGPS logs -1.85 ALOGPS logp 0.32 ChemAxon pka_strongest_acidic -5 ChemAxon pka_strongest_basic 15 ChemAxon iupac N-amino-N'-phenylcarbamimidic acid ChemAxon average_mass 151.169 ChemAxon mono_mass 151.074561922 ChemAxon smiles NNC(O)=NC1=CC=CC=C1 ChemAxon formula C7H9N3O ChemAxon inchi InChI=1S/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11) ChemAxon inchikey MOCKWYUCPREFCZ-UHFFFAOYSA-N ChemAxon polar_surface_area 70.64 ChemAxon refractivity 55.45 ChemAxon polarizability 15.37 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 35842 Specdb::CMs 48926 Specdb::CMs 138001 Specdb::CMs 145735 Specdb::NmrOneD 66872 Specdb::NmrOneD 66873 Specdb::NmrOneD 66874 Specdb::NmrOneD 66875 Specdb::NmrOneD 66876 Specdb::NmrOneD 66877 Specdb::NmrOneD 66878 Specdb::NmrOneD 66879 Specdb::NmrOneD 66880 Specdb::NmrOneD 66881 Specdb::NmrOneD 66882 Specdb::NmrOneD 66883 Specdb::NmrOneD 66884 Specdb::NmrOneD 66885 Specdb::NmrOneD 66886 Specdb::NmrOneD 66887 Specdb::NmrOneD 66888 Specdb::NmrOneD 66889 Specdb::NmrOneD 66890 Specdb::NmrOneD 66891 Specdb::MsMs 907171 Specdb::MsMs 907172 Specdb::MsMs 907173 Specdb::MsMs 953662 Specdb::MsMs 953663 Specdb::MsMs 953664 Specdb::MsMs 2390434 Specdb::MsMs 2390435 Specdb::MsMs 2390436 Specdb::MsMs 2574856 Specdb::MsMs 2574857 Specdb::MsMs 2574858 10837 FDB034839