Chemical ID: 6656029

c1ccc2c(c1)n3c(s2)nnn3
Chemical ID:
6656029
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)n3c(s2)nnn3
InChi [?]:
InChI=1/C7H4N4S/c1-2-4-6-5(3-1)11-7(12-6)8-9-10-11/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,8,10,11,12,7,9/rA:12nCCCCCCNCSNNN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d8;s10;s7d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4N4S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.17211
Area:313.855
Solvation:-0.674255
Coulombic:-7.77078
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:176.2
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.77
LogP (Chemaxon):2.56

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Experimental Annotations

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Descriptor Annotations

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