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Ticrynafen ,Tienilic acid ,Selacryn ,Thienylic acid ,Diflurex,Ticrex,T

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摘 要:Ticrynafen ,Tienilic acid ,Selacryn ,Thienylic acid ,Diflurex,Ticrex,Ticrynafen [USAN],Selacryn (TN),Ticrynafen (USAN),Tienilico acido [Spanish], 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetic acid,Canonical SMILES: C1=CSC(=C1)C(=O)C2=C(C(=C(
[Synonyms]
Ticrynafen
Tienilic acid
Selacryn
Thienylic acid
Diflurex
Ticrex
Ticrynafen [USAN]
Selacryn (TN)
Ticrynafen (USAN)
Tienilico acido [Spanish]

[Structure]
Ticrynafen ,Tienilic acid ,Selacryn ,Thienylic acid ,Diflurex,Ticrex,T

[ Properties Computed from Structure]
Molecular Weight331.17122 [g/mol]
Molecular FormulaC13H8Cl2O4S
XLogP3.1
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count5
Exact Mass329.952035
MonoIsotopic Mass329.952035
Topological Polar Surface Area63.6
Heavy Atom Count20
Formal Charge0
Complexity379
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetic acid
Canonical SMILES: C1=CSC(=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl
InChI: InChI=1/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10
(16)17/h1-5H,6H2,(H,16,17)/f/h16H

 
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