Chemical ID: 6122328

Cc1[nH]c(=O)c2c3c(c(=O)oc2n1)nns3
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

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Descriptor Annotations

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