Chemical ID: 6489864

c1cc(ccc1C=C2C(=O)NC(=O)S2)C(F)(F)F
Chemical ID:
6489864
Name [?]:
5-[[4-(trifluoromethyl)phenyl]methylene]thiazolidine-2,4-dione
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=O)S2)C(F)(F)F
InChi [?]:
InChI=1/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,6,3,8,9,12,15,16,17,18,11,10,13,14/E:(1,2)(3,4)(12,13,14)/rA:18nCCCCCCCCCONCOSCFFF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s3;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6F3NO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.2197
Area:402.615
Solvation:-2.84567
Coulombic:-50.8649
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:273.232
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.36
LogP (Chemaxon):2.71

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