chempirical

8-Hydroxyquinoline sulfate monohydrate

C18H18N2O7SCAS 207386-91-2406.41 g/mol

Open in Covalent MOL file
OHNOHNH2OOHSOOOH
Phenol

Properties

Molecular formula
C18H18N2O7S
Molar mass
406.41 g/mol
Exact mass
406.0835 Da
logP
2.40Crippen estimate
Polar surface area
172.3 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
0

Identifiers

CAS number
207386-91-2
SMILES
C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.O.OS(=O)(=O)O
InChIKey
BNCXJZDIJIVJJO-UHFFFAOYSA-N
InChI
InChI=1S/2C9H7NO.H2O4S.H2O/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4;/h2*1-6,11H;(H2,1,2,3,4);1H2

Weigh it out

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

Work with 8-Hydroxyquinoline sulfate monohydrate

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

Hydroxyquinoline sulfate134-31-691 % similar 8-Hydroxyquinoline148-24-367 % similar Potassium 8-hydroxyquinoline bisulfate15077-57-361 % similar 8-Quinolinesulfonic acid85-48-349 % similar 8-Hydroxyquinoline-5-sulfonic acid84-88-844 % similar 8-Hydroxyquinoline citrate134-30-544 % similar 8-Quinolinesulfonyl chloride18704-37-542 % similar Phenol, 2-amino-, sulfate (2:1)67845-79-841 % similar

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

Elsewhere

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