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Chemical ID: 4097433
Chemical ID:
4097433
Name [?]:
1,4-dichloro-2-(2,5-dichlorophenyl)disulfanyl-benzene
SMILES [?]:
c1cc(c(cc1Cl)SSc2cc(ccc2Cl)Cl)Cl
InChi [?]:
InChI=1/C12H6Cl4S2/c13-7-1-3-9(15)11(5-7)17-18-12-6-8(14)2-4-10(12)16/h1-6H
InChi Info:
AuxInfo=1/0/N:1,13,2,14,5,11,6,12,3,15,4,10,7,17,18,16,8,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCCCClSSCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;s10;d11;s12;d13;d10s14;s15;s12;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H6Cl4S2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6738 |
Area: | 502.113 |
Solvation: | -0.878984 |
Coulombic: | -4.41593 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 356.119 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.96 |
LogP (Chemaxon): | 6.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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