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Chemical ID: 6593012
Chemical ID:
6593012
Name [?]:
2-(2-chlorophenyl)sulfanyl-N-cyclooctyl-acetamide
SMILES [?]:
c1ccc(c(c1)SCC(=O)NC2CCCCCCC2)Cl
InChi [?]:
InChI=1/C16H22ClNOS/c17-14-10-6-7-11-15(14)20-12-16(19)18-13-8-4-2-1-3-5-9-13/h6-7,10-11,13H,1-5,8-9,12H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:16,15,17,14,18,2,1,13,19,3,6,8,12,4,5,9,20,11,10,7/E:(2,3)(4,5)(8,9)/rA:20nCCCCCCSCCONCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s12s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22ClNOS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1889 |
Area: | 508.456 |
Solvation: | -2.52249 |
Coulombic: | -23.5255 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.871 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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