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Chemical ID: 6699778
Chemical ID:
6699778
Name [?]:
4-(p-tolylsulfonylamino)cyclohexane-1-carboxylate
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC2CCC(CC2)C(=O)[O-]
InChi [?]:
InChI=1/C14H19NO4S/c1-10-2-8-13(9-3-10)20(18,19)15-12-6-4-11(5-7-12)14(16)17/h2-3,8-9,11-12,15H,4-7H2,1H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,7,14,16,13,17,4,6,2,15,12,5,18,11,19,20,9,10,8/E:(2,3)(4,5)(6,7)(8,9)(16,17)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18NO4S- |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.4906 |
Area: | 468.87 |
Solvation: | -43.2124 |
Coulombic: | -12.1846 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.5 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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