(R)-(-)-Modafinil acid

C₁₅H₁₄O₃SCAS 112111-45-2274.33 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfoxide

Properties

Molecular formula: C₁₅H₁₄O₃S
Molar mass: 274.33 g/mol
Exact mass: 274.0664 Da
logP: 2.61Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

112111-45-2

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)[S@](=O)CC(=O)O

InChIKey

QARQPIWTMBRJFX-LJQANCHMSA-N

InChI

InChI=1S/C15H14O3S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)/t19-/m1/s1

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Names and synonyms

1 names

Modafinil acid, (-)-

Work with (R)-(-)-Modafinil acid

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

Modafinil68693-11-864 % similar Adrafinil63547-13-761 % similar 3-Phenylglutaric acid4165-96-251 % similar Diphenylpropionic acid606-83-751 % similar 3-Phenylbutyric acid4593-90-249 % similar 2-[(Diphenylmethyl)thio]acetic acid63547-22-849 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-947 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-847 % similar

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

Same formula

2-[(4-Methylphenyl)sulfonyl]-1-phenylethanone31378-03-7

Elsewhere

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