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Chemical ID: 4727103
Chemical ID:
4727103
Name [?]:
quinoxaline-2-carboxylic acid
SMILES [?]:
c1ccc2c(c1)ncc(n2)C(=O)O
InChi [?]:
InChI=1/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,4,9,11,7,10,12,13/E:(12,13)/rA:13nCCCCCCNCCNCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.25315 |
Area: | 328.478 |
Solvation: | -1.9588 |
Coulombic: | -39.6524 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 174.156 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | -1.01 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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