Chemical ID: 4561802

c1[nH]c(=O)c2c(n1)Oc3c(c(=O)[nH]cn3)C2
Chemical ID:
4561802
Name [?]:
None
SMILES [?]:
c1[nH]c(=O)c2c(n1)Oc3c(c(=O)[nH]cn3)C2
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:16,1,14,5,10,3,11,6,9,2,13,7,15,4,12,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:16nCNCOCCNOCCCONCNC/rB:s1;s2;d3;s3;d5;d1s6;s6;s8;d9;s10;d11;s11;s13;s9d14;s5s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N4O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.22165
Area:353.482
Solvation:-3.61539
Coulombic:-56.7336
Bond Count [?]
All:18
Single:12
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:218.169
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-1.95
LogP (Chemaxon):-0.71

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