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Chemical ID: 6045454
Chemical ID:
6045454
Name [?]:
6-amino-5-nitro-1H-pyrimidine-2,4-dione
SMILES [?]:
c1(c([nH]c(=O)[nH]c1=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:1,2,7,4,9,3,6,10,8,5,11,12/E:(11,12)/CRV:8.5/rA:12nCCNCONCONN+OO-/rB:d1;s2;s3;d4;s4;s1s6;d7;s2;s1;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H4N4O4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -1.13668 |
Area: | 300.284 |
Solvation: | -8.64378 |
Coulombic: | -69.0877 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 172.099 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.46 |
LogP (Chemaxon): | -0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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