Chemical ID: 5128159

c1(n[nH]c(=O)o1)c2n[nH]c(=O)o2
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

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Descriptor Annotations

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