Chemical ID: 4727103

c1ccc2c(c1)ncc(n2)C(=O)O
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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Descriptor Annotations

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