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ZINC00128943 (2R,5S)-2-(4-fluorophenyl)-5-methyl-1,3-thiazolidin-4-one

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摘 要:ZINC00128943 (2R,5S)-2-(4-fluorophenyl)-5-methyl-1,3-thiazolidin-4-one,Canonical SMILES: CC1C(=O)NC(S1)C2=CC=C(C=C2)F,Isomeric SMILES: C[C@H]1C(=O)N[C@H](S1)C2=CC=C(C=C2)F,InChI: InChI=1/C10H10FNOS/c1-6-9(13)12-10(14-6)7-2-4-8(11)5-3-7/h2-6,10H,1H3,,
[Synonyms]
ZINC00128943
[Structure]
ZINC00128943 (2R,5S)-2-(4-fluorophenyl)-5-methyl-1,3-thiazolidin-4-one

[ Properties Computed from Structure]
Molecular Weight211.255903 [g/mol]
Molecular FormulaC10H10FNOS
XLogP1.9
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count1
Tautomer Count2
Exact Mass211.046713
MonoIsotopic Mass211.046713
Topological Polar Surface Area29.1
Heavy Atom Count14
Formal Charge0
Complexity228
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R,5S)-2-(4-fluorophenyl)-5-methyl-1,3-thiazolidin-4-one
Canonical SMILES: CC1C(=O)NC(S1)C2=CC=C(C=C2)F
Isomeric SMILES: C[C@H]1C(=O)N[C@H](S1)C2=CC=C(C=C2)F
InChI: InChI=1/C10H10FNOS/c1-6-9(13)12-10(14-6)7-2-4-8(11)5-3-7/h2-6,10H,1H3,
(H,12,13)/t6-,10+/m0/s1/f/h12H

 
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