Chemical ID: 6671499

c1(c(nc(nc1O)O)N)[N+](=O)[O-]
Chemical ID:
6671499
Name [?]:
6-amino-5-nitro-pyrimidine-2,4-diol
SMILES [?]:
c1(c(nc(nc1O)O)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C4H4N4O4/c5-2-1(8(11)12)3(9)7-4(10)6-2/h(H4,5,6,7,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,9,3,5,10,7,8,11,12/E:(11,12)/CRV:8.5/rA:12nCCNCNCOONN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;s1;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H4N4O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-0.316314
Area:311.603
Solvation:-8.10638
Coulombic:-73.766
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:172.099
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:0.91
LogP (Chemaxon):1.24

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