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Chemical ID: 7142211
Chemical ID:
7142211
Name [?]:
3-(4-acetylphenyl)-5-[(2,6-dichlorophenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1ccc(cc1)N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=S
InChi [?]:
InChI=1/C18H11Cl2NO2S2/c1-10(22)11-5-7-12(8-6-11)21-17(23)16(25-18(21)24)9-13-14(19)3-2-4-15(13)20/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,5,9,6,8,14,2,4,7,15,16,20,13,11,24,22,21,10,3,12,25,23/E:(3,4)(5,6)(7,8)(14,15)(19,20)/rA:25nCCOCCCCCCNCOCCCCCCCCClClSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s16;s13;s10s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H11Cl2NO2S2 |
All Atoms: | 36 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.7932 |
Area: | 582.027 |
Solvation: | -2.75746 |
Coulombic: | -27.9447 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.48 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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