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Chemical ID: 4508038
Chemical ID:
4508038
Name [?]:
2,4-dichloro-5-(cyclohexylsulfamoyl)benzoic acid
SMILES [?]:
c1c(c(cc(c1S(=O)(=O)NC2CCCCC2)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C13H15Cl2NO4S/c14-10-7-11(15)12(6-9(10)13(17)18)21(19,20)16-8-4-2-1-3-5-8/h6-8,16H,1-5H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:14,13,15,12,16,1,4,11,2,3,5,6,19,18,17,10,20,21,8,9,7/E:(2,3)(4,5)(17,18)(19,20)/CRV:21.6/rA:21nCCCCCCSOONCCCCCCClClCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s14;s11s15;s5;s3;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15Cl2NO4S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33582 |
Area: | 496.785 |
Solvation: | -3.08381 |
Coulombic: | -38.7177 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.234 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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