Chemical ID: 6503132

c1cc(c(cc1Cl)SCCc2cc[nH+]cc2)Cl
Chemical ID:
6503132
Name [?]:
4-[2-(2,5-dichlorophenyl)sulfanylethyl]-1H-pyridine
SMILES [?]:
c1cc(c(cc1Cl)SCCc2cc[nH+]cc2)Cl
InChi [?]:
InChI=1/C13H11Cl2NS/c14-11-1-2-12(15)13(9-11)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9H,5,8H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,12,16,10,13,15,9,5,11,6,3,4,7,17,14,8/E:(3,4)(6,7)/rA:17nCCCCCCClSCCCCCN+CCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;s10;s11;d12;s13;d14;d11s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12Cl2NS+
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-23.3403
Area:475.7
Solvation:-35.2328
Coulombic:7.16802
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:285.213
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.56
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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