Chemical ID: 4604330

c1(c(non1)C(=O)O)c2c(non2)C(=O)O
Chemical ID:
4604330
Name [?]:
4-(4-carboxy-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole-3-carboxylic acid
SMILES [?]:
c1(c(non1)C(=O)O)c2c(non2)C(=O)O
InChi [?]:
InChI=1/C6H2N4O6/c11-5(12)3-1(7-15-9-3)2-4(6(13)14)10-16-8-2/h(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,14,5,13,3,11,7,8,15,16,4,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)/gE:(1,2)/rA:16nCCNONCOOCCNONCOO/rB:s1;d2;s3;d1s4;s2;d6;s6;s1;s9;d10;s11;d9s12;s10;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H2N4O6
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.89188
Area:361.293
Solvation:-4.14045
Coulombic:-57.1951
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:226.103
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.04
LogP (Chemaxon):0.01

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Descriptor Annotations

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