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Chemical ID: 7432406
Chemical ID:
7432406
Name [?]:
None
SMILES [?]:
C(#N)c1c2c(nc3c1sc(=O)s3)sc(=O)s2
InChi [?]:
InChI=1/C8N2O2S4/c9-1-2-3-5(15-7(11)13-3)10-6-4(2)14-8(12)16-6
InChi Info:
AuxInfo=1/0/N:1,3,4,8,5,7,14,10,2,6,15,11,16,9,13,12/E:(3,4)(5,6)(7,8)(11,12)(13,14)(15,16)/rA:16nCNCCCNCCSCOSSCOS/rB:t1;s1;s3;d4;s5;d6;d3s7;s8;s9;d10;s7s10;s5;s13;d14;s4s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8N2O2S4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35422 |
Area: | 419.422 |
Solvation: | -3.13132 |
Coulombic: | -26.3245 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 284.362 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.83 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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