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Chemical ID: 6806712
Chemical ID:
6806712
Name [?]:
3-(butylsulfamoyl)-2,6-difluoro-benzoate
SMILES [?]:
CCCCNS(=O)(=O)c1ccc(c(c1F)C(=O)[O-])F
InChi [?]:
InChI=1/C11H13F2NO4S/c1-2-3-6-14-19(17,18)8-5-4-7(12)9(10(8)13)11(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,11,10,4,12,9,13,14,16,19,15,5,17,18,7,8,6/E:(15,16)(17,18)/CRV:19.6/rA:19nCCCCNSOOCCCCCCFCOO-F/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;s13;d16;s16;s12;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12F2NO4S- |
All Atoms: | 31 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.6374 |
Area: | 444.467 |
Solvation: | -44.7491 |
Coulombic: | -19.4381 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.68 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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