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Chemical ID: 6122328
Chemical ID:
6122328
Name [?]:
None
SMILES [?]:
Cc1[nH]c(=O)c2c3c(c(=O)oc2n1)nns3
InChi [?]:
InChI=1/C8H4N4O3S/c1-2-9-6(13)3-5-4(11-12-16-5)8(14)15-7(3)10-2/h1H3,(H,9,10,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,7,4,12,9,3,13,14,15,5,10,11,16/rA:16nCCNCOCCCCOOCNNNS/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s9;d6s11;d2s12;s8;d14;s7s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4N4O3S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.89083 |
Area: | 370.176 |
Solvation: | -3.36356 |
Coulombic: | -43.4627 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 236.209 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.46 |
LogP (Chemaxon): | -0.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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