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Chemical ID: 5128159
Chemical ID:
5128159
Name [?]:
5-(5-oxo-4H-1,3,4-oxadiazol-2-yl)-3H-1,3,4-oxadiazol-2-one
SMILES [?]:
c1(n[nH]c(=O)o1)c2n[nH]c(=O)o2
InChi [?]:
InChI=1/C4H2N4O4/c9-3-7-5-1(11-3)2-6-8-4(10)12-2/h(H,7,9)(H,8,10)
InChi Info:
AuxInfo=1/1/N:1,7,4,10,2,8,3,9,5,11,6,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12nCNNCOOCNNCOO/rB:d1;s2;s3;d4;s1s4;s1;d7;s8;s9;d10;s7s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H2N4O4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.53292 |
Area: | 313.922 |
Solvation: | -2.31513 |
Coulombic: | -65.6784 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 170.083 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.67 |
LogP (Chemaxon): | 0.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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