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Chemical ID: 6914494
Chemical ID:
6914494
Name [?]:
6-acetylsulfanyl-8-sulfanyl-octanamide
SMILES [?]:
CC(=O)SC(CCCCC(=O)N)CCS
InChi [?]:
InChI=1/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,13,14,2,5,10,12,3,11,15,4/rA:15cCCOSCCCCCCONCCS/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s5;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO2S2 |
All Atoms: | 34 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.72155 |
Area: | 460.832 |
Solvation: | -2.79925 |
Coulombic: | -35.7872 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 249.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.43 |
LogP (Chemaxon): | 0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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