Chemical ID: 5757648

COc1ccc2c(c1)nc(c(n2)O)O
Chemical ID:
5757648
Name [?]:
6-methoxyquinoxaline-2,3-diol
SMILES [?]:
COc1ccc2c(c1)nc(c(n2)O)O
InChi [?]:
InChI=1/C9H8N2O3/c1-14-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,4,5,8,3,6,7,11,10,12,9,13,14,2/rA:14nCOCCCCCCNCCNOO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.57353
Area:343.739
Solvation:-4.01993
Coulombic:-52.3352
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:192.171
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.43
LogP (Chemaxon):1.8

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue