Chemical ID: 3965677

c1c(cc(c(c1Sc2cc(cc(c2[O-])Cl)Cl)[O-])Cl)Cl
Chemical ID:
3965677
Name [?]:
2,4-dichloro-6-(3,5-dichloro-2-oxido-phenyl)sulfanyl-phenolate
SMILES [?]:
c1c(cc(c(c1Sc2cc(cc(c2[O-])Cl)Cl)[O-])Cl)Cl
InChi [?]:
InChI=1/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H/p-2
InChi Info:
AuxInfo=1/1/N:3,11,1,9,2,10,4,12,6,8,5,13,19,16,18,15,17,14,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:19nCCCCCCSCCCCCCO-ClClO-ClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s12;s10;s5;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H4Cl4O2S-2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-99.2578
Area:505.592
Solvation:-111.898
Coulombic:58.0225
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:354.036
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.47
LogP (Chemaxon):6.06

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