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Chemical ID: 6832518
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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