Chemical ID: 6699778

Cc1ccc(cc1)S(=O)(=O)NC2CCC(CC2)C(=O)[O-]
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

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