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Chemical ID: 7144177
Chemical ID:
7144177
Name [?]:
3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-(2-furyl)prop-2-enylidene]thiazolidine-2,4-dione
SMILES [?]:
c1cc(oc1)C=CC=C2C(=O)N(C(=O)S2)c3ccc(c(c3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C17H9ClF3NO3S/c18-13-7-6-10(9-12(13)17(19,20)21)22-15(23)14(26-16(22)24)5-1-3-11-4-2-8-25-11/h1-9H
InChi Info:
AuxInfo=1/0/N:7,1,6,2,8,17,18,5,21,16,3,20,19,9,10,13,22,26,23,24,25,12,11,14,4,15/E:(19,20,21)/rA:26nCCCOCCCCCCONCOSCCCCCCCFFFCl/rB:s1;d2;s3;d1s4;s3;w6;s7;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H9ClF3NO3S |
All Atoms: | 35 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0534 |
Area: | 566.645 |
Solvation: | -4.11274 |
Coulombic: | -53.05 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 399.772 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.66 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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