1-Hydroxy-6-amino-3-naphthalenesulfonic acid
PubChem CID: 6868
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| Compound Synonyms | 87-02-5, 7-AMINO-4-HYDROXY-2-NAPHTHALENESULFONIC ACID, 7-amino-4-hydroxynaphthalene-2-sulfonic acid, J acid, Isogamma acid, I acid, 2-Amino-5-naphthol-7-sulfonic Acid, 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-, Kyselina I, 6-Amino-1-naphthol-3-sulfonic acid, Kyselina I [Czech], Aminonaphthol sulfonic acid J, CCRIS 8989, EINECS 201-718-9, NSC 31510, 7-Amino-4-hydroxynaphthalene-2-sulphonic acid, Kyselina 2-amino-5-naftol-7-sulfonova, BRN 2217192, 9A1IU1C93L, CHEBI:87316, 1-Hydroxy-6-amino-3-naphthalenesulfonic acid, NSC-7556, NSC-8631, Kyselina 2-amino-5-naftol-7-sulfonova [Czech], Kyselina 6-amino-1-naftol-3-sulfonova [Czech], NSC-31510, Kyselina 6-amino-1-naftol-3-sulfonova, 3-amino-6-sulfo-8-naphthol, 6-amino-3-sulfo-1-naphthol, MLS002638012, CHEMBL220259, DTXSID7026520, EC 201-718-9, 3-amino-8-naphthol-6-sulfonic acid, 1-HYDROXY-3-SULFO-6-AMINONAPHTHALENE, 3-AMINO-8-HYDROXY-6-SULFONAPHTHALENE, 6-AMINO-1-HYDROXY-3-SULFONAPHTHALENE, 1-NAPHTHOL-3-SULFONIC ACID, 6-AMINO-, 7-amino-4-hydroxy-naphthalene-2-sulfonic acid, 2-AMINO-5-HYDROXY-7-NAPHTHALENESULFONIC ACID, 3-AMINO-8-HYDROXY-6-NAPHTHALENESULFONIC ACID, 6-AMINO-1-HYDROXY-3-NAPHTHALENESULFONIC ACID, DTXCID206520, WLN: L66J BQ DSWQ HZ, CAS-87-02-5, J-Saure, 7-NH2-4-OH-2-NSA, 7-amino-4-hydroxy-2-naphthalenesulfonate, cid_6868, UNII-9A1IU1C93L, SCHEMBL154124, NSC7556, NSC8631, HMS3085K07, NSC31510, Tox21_202232, Tox21_303310, BDBM50206424, AKOS015854951, NCGC00249193-01, NCGC00257232-01, NCGC00259781-01, AS-17223, PD183075, SMR001547516, 7-amino-4-hydroxynaphthalene-2-sulfonicacid, DB-056966, A0370, CS-0187248, NS00007596, 1-hydroxy-6-aminonaphthalene-3-sulphonic acid, 2-amino-5-hydroxynaphthalene-7-sulfonic acid, 7-amino-4-hydroxy-2-naphthalenesulphonic acid, H11790, Q259271, 7-Amino-4-hydroxy-2-naphthalenesulfonic acid, technical, >=90% (T), 201-718-9, 6-Amino-1-naphthol-3-sulfonic acid, 2-Amino-5-naphthol-7-sulfonic acid, 7-Amino-4-hydroxy-2-naphthalene sulphonic acid |
|---|---|
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q5VLE3, Q99873, O75164, Q16236, O95149, P83916, O89049, P39748, Q9UNA4, Q9Y253, Q9UBT6, P11940, Q06124, P07378, P51452, O75874, P54829, O75496, P17405, O94925, Q99700, P43220, P63092, Q13526, P51449, P11308, O94782, O96028, P55212, O95398, P04608, P10275, P19838, P05412 |
| Iupac Name | 7-amino-4-hydroxynaphthalene-2-sulfonic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT4245, NPT206, NPT1211, NPT6069, NPT4675, NPT867 |
| Xlogp | -0.9 |
| Molecular Formula | C10H9NO4S |
| Prediction Swissadme | 0.0 |
| Inchi Key | KYARBIJYVGJZLB-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.748 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.159 |
| Compound Name | 1-Hydroxy-6-amino-3-naphthalenesulfonic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 239.025 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 239.025 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 239.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1780624 |
| Inchi | InChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15) |
| Smiles | C1=CC2=C(C=C(C=C2C=C1N)S(=O)(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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