Chemical ID: 6832518

c1cc(c(c(c1S(=O)(=O)N2CCCC2)Cl)Cl)Cl
Chemical ID:
6832518
Name [?]:
1-(2,3,4-trichlorophenyl)sulfonylpyrrolidine
SMILES [?]:
c1cc(c(c(c1S(=O)(=O)N2CCCC2)Cl)Cl)Cl
InChi [?]:
InChI=1/C10H10Cl3NO2S/c11-7-3-4-8(10(13)9(7)12)17(15,16)14-5-1-2-6-14/h3-4H,1-2,5-6H2
InChi Info:
AuxInfo=1/0/N:12,13,2,1,11,14,3,6,4,5,17,16,15,10,8,9,7/E:(1,2)(5,6)(15,16)/CRV:17.6/rA:17nCCCCCCSOONCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s10s13;s5;s4;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10Cl3NO2S
All Atoms:27
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.79875
Area:434.429
Solvation:-2.06198
Coulombic:-7.55444
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:314.616
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.48
LogP (Chemaxon):3.05

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Descriptor Annotations

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