Chemical ID: 6548064

c1ccc2c(c1)nc3c(n2)nc[nH]3
Chemical ID:
6548064
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3c(n2)nc[nH]3
InChi [?]:
InChI=1/C9H6N4/c1-2-4-7-6(3-1)12-8-9(13-7)11-5-10-8/h1-5H,(H,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,5,4,8,9,13,11,7,10/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:13nCCCCCCNCCNNCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;d11;s8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.28871
Area:314.618
Solvation:-1.57673
Coulombic:-29.9171
Bond Count [?]
All:15
Single:9
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:170.171
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.2
LogP (Chemaxon):1.62

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Descriptor Annotations

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