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Chemical ID: 7088861
Chemical ID:
7088861
Name [?]:
None
SMILES [?]:
c1c2c(=O)n3cncc3c(=O)n2cn1
InChi [?]:
InChI=1/C8H4N4O2/c13-7-5-1-9-3-11(5)8(14)6-2-10-4-12(6)7/h1-4H
InChi Info:
AuxInfo=1/0/N:1,8,13,6,2,9,3,10,14,7,12,5,4,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCONCNCCCONCN/rB:d1;s2;d3;s3;s5;d6;s7;s5d8;s9;d10;s2s10;s12;s1d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4N4O2 |
All Atoms: | 18 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.41274 |
Area: | 323.413 |
Solvation: | -2.67257 |
Coulombic: | -40.9867 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 188.143 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | -1.92 |
LogP (Chemaxon): | -1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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