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Chemical ID: 4692409
Chemical ID:
4692409
Name [?]:
3-(3,5-dichlorophenyl)thiazolidine-2,4-dione
SMILES [?]:
c1c(cc(cc1Cl)Cl)N2C(=O)CSC2=O
InChi [?]:
InChI=1/C9H5Cl2NO2S/c10-5-1-6(11)3-7(2-5)12-8(13)4-15-9(12)14/h1-3H,4H2
InChi Info:
AuxInfo=1/0/N:5,1,3,12,6,4,2,10,14,7,8,9,11,15,13/E:(2,3)(5,6)(10,11)/rA:15nCCCCCCClClNCOCSCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;s9;d10;s10;s12;s9s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H5Cl2NO2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.8666 |
Area: | 412.372 |
Solvation: | -2.44269 |
Coulombic: | -25.9601 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 262.113 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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