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Chemical ID: 4906404
Chemical ID:
4906404
Name [?]:
None
SMILES [?]:
c1c2c(c(nn1)O)Sc3cnnc(c3S2)O
InChi [?]:
InChI=1/C8H4N4O2S2/c13-7-5-3(1-9-11-7)15-6-4(16-5)2-10-12-8(6)14/h1-2H,(H,11,13)(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,10,2,9,3,14,4,13,6,11,5,12,7,16,15,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16nCCCCNNOSCCNNCCSO/rB:s1;d2;s3;d4;d1s5;s4;s3;s8;s9;d10;s11;d12;d9s13;s2s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4N4O2S2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.75973 |
Area: | 376.115 |
Solvation: | -3.64316 |
Coulombic: | -39.4923 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 252.275 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.45 |
LogP (Chemaxon): | 0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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