Chemical ID: 6733912

c1cc(c(c(c1S(=O)(=O)N2CCOCC2)Cl)C(=O)[O-])Cl
Chemical ID:
6733912
Name [?]:
2,6-dichloro-3-morpholinosulfonyl-benzoate
SMILES [?]:
c1cc(c(c(c1S(=O)(=O)N2CCOCC2)Cl)C(=O)[O-])Cl
InChi [?]:
InChI=1/C11H11Cl2NO5S/c12-7-1-2-8(10(13)9(7)11(15)16)20(17,18)14-3-5-19-6-4-14/h1-2H,3-6H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:2,1,11,15,12,14,3,6,4,5,17,20,16,10,18,19,8,9,13,7/E:(3,4)(5,6)(15,16)(17,18)/CRV:20.6/rA:20nCCCCCCSOONCCOCCClCOO-Cl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s10s14;s5;s4;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10Cl2NO5S-
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-30.9347
Area:451.284
Solvation:-42.2168
Coulombic:-16.9434
Bond Count [?]
All:21
Single:15
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.172
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.09
LogP (Chemaxon):1.38

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Descriptor Annotations

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