Chemical ID: 6572167

c1nc(c2c(n1)Oc3c(c(ncn3)O)C2)O
Chemical ID:
6572167
Name [?]:
None
SMILES [?]:
c1nc(c2c(n1)Oc3c(c(ncn3)O)C2)O
InChi [?]:
InChI=1/C9H6N4O3/c14-6-4-1-5-7(15)11-3-13-9(5)16-8(4)12-2-10-6/h2-3H,1H2,(H,10,12,14)(H,11,13,15)
InChi Info:
AuxInfo=1/1/N:15,1,12,4,9,3,10,5,8,2,11,6,13,16,14,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:16nCNCCCNOCCCNCNOCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s10;s4s9;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N4O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.71467
Area:356.431
Solvation:-4.1961
Coulombic:-59.9166
Bond Count [?]
All:18
Single:12
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:218.169
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.33
LogP (Chemaxon):1.47

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