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Chemical ID: 6671499
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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