Chemical ID: 4906404

c1c2c(c(nn1)O)Sc3cnnc(c3S2)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue