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Chemical ID: 6489864
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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