chempirical

Actinoquinol

C11H11NO4SCAS 15301-40-3253.27 g/mol

Open in Covalent MOL file
OSOOOHN
EtherSulfonic acid

Properties

Molecular formula
C11H11NO4S
Molar mass
253.27 g/mol
Exact mass
253.0409 Da
Melting point
286 °C (decomposes)
logP
1.88Crippen estimate
Polar surface area
76.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
15301-40-3
SMILES
CCOc1ccc(S(=O)(=O)O)c2cccnc12
InChIKey
YAMVZYRZAMBCED-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO4S/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9/h3-7H,2H2,1H3,(H,13,14,15)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 5-Quinolinesulfonic acid, 8-ethoxy-
  • 8-Ethoxy-5-quinolinesulfonic acid
  • NSC 165584

Work with Actinoquinol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

8-Ethoxy-5-quinolinesulfonic acid sodium salt7246-07-367 % similar 8-Hydroxyquinoline-5-sulfonic acid84-88-858 % similar Ferron547-91-146 % similar 8-Quinolinesulfonic acid85-48-346 % similar Armstrong'S acid81-04-940 % similar 3-Ethoxy-2-nitropyridine74037-50-638 % similar 1-Naphthol-4-sulfonic acid84-87-738 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate205873-28-5 N-Methyl J acid22346-43-6 Woodward'S reagent K4156-16-5

Elsewhere

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