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Chemical ID: 4604330
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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