Chemical ID: 4097433

c1cc(c(cc1Cl)SSc2cc(ccc2Cl)Cl)Cl
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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Descriptor Annotations

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