Chemical ID: 6126674

c1c2n(nn1)CCn3c(cnn3)S2
Chemical ID:
6126674
Name [?]:
None
SMILES [?]:
c1c2n(nn1)CCn3c(cnn3)S2
InChi [?]:
InChI=1/C6H6N6S/c1-2-12-6(4-8-10-12)13-5-3-7-9-11(1)5/h3-4H,1-2H2
InChi Info:
AuxInfo=1/0/N:6,7,1,10,2,9,5,11,4,12,3,8,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:13nCCNNNCCNCCNNS/rB:d1;s2;s3;s1d4;s3;s6;s7;s8;d9;s10;s8d11;s2s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N6S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.51042
Area:327.812
Solvation:-2.68489
Coulombic:-6.52498
Bond Count [?]
All:15
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:194.218
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:-0.84
LogP (Chemaxon):-0.46

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Descriptor Annotations

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