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Chemical ID: 6421288
Chemical ID:
6421288
Name [?]:
3,8-dihydropteridine-4,7-dione
SMILES [?]:
c1c(=O)[nH]c2c(n1)c(=O)[nH]cn2
InChi [?]:
InChI=1/C6H4N4O2/c11-3-1-7-4-5(10-3)8-2-9-6(4)12/h1-2H,(H2,8,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,5,8,7,12,10,4,3,9/rA:12nCCONCCNCONCN/rB:s1;d2;s2;s4;d5;d1s6;s6;d8;s8;s10;s5d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H4N4O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.77558 |
Area: | 299.814 |
Solvation: | -2.71977 |
Coulombic: | -52.0783 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 164.122 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | -1.8 |
LogP (Chemaxon): | -1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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