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Chemical ID: 7092095
Chemical ID:
7092095
Name [?]:
4-(isobutylsulfamoyl)benzoic acid
SMILES [?]:
CC(C)CNS(=O)(=O)c1ccc(cc1)C(=O)O
InChi [?]:
InChI=1/C11H15NO4S/c1-8(2)7-12-17(15,16)10-5-3-9(4-6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,11,13,10,14,4,2,12,9,15,5,16,17,7,8,6/E:(1,2)(3,4)(5,6)(13,14)(15,16)/CRV:17.6/rA:17nCCCCNSOOCCCCCCCOO/rB:s1;s2;s2;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO4S |
All Atoms: | 32 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38602 |
Area: | 441.533 |
Solvation: | -2.6523 |
Coulombic: | -40.2206 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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