Chemical ID: 6472745

C1CN=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
Chemical ID:
6472745
Name [?]:
None
SMILES [?]:
C1CN=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
InChi [?]:
InChI=1/C8H8N4O2S/c13-6-4-5(10-7(14)11-6)12-3-1-2-9-8(12)15-4/h1-3H2,(H2,10,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,7,9,12,4,3,14,11,5,10,13,15/rA:15nCCNCNCCCCONCONS/rB:s1;s2;d3;s4;s1s5;s5;d7;s8;d9;s9;s11;d12;s7s12;s4s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N4O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.28766
Area:358.053
Solvation:-2.66367
Coulombic:-54.0568
Bond Count [?]
All:17
Single:13
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:224.241
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.04
LogP (Chemaxon):0.68

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Descriptor Annotations

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