Chemical ID: 4637696

COc1ccc2c(c1)[n+](c(c([n+]2[O-])O)C(=O)OC)[O-]
Chemical ID:
4637696
Name [?]:
methyl 3-hydroxy-7-methoxy-1,4-dioxido-quinoxaline-2-carboxylate
SMILES [?]:
COc1ccc2c(c1)[n+](c(c([n+]2[O-])O)C(=O)OC)[O-]
InChi [?]:
InChI=1/C11H10N2O6/c1-18-6-3-4-7-8(5-6)12(16)9(11(15)19-2)10(14)13(7)17/h3-5,14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,5,8,3,6,7,10,11,15,9,12,14,16,19,13,2,17/CRV:12.5,13.5/rA:19nCOCCCCCCN+CCN+O-OCOOCO-/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s12;s11;s10;d15;s15;s17;s9;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O6
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-6.79191
Area:417.618
Solvation:-17.2324
Coulombic:-74.0766
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.207
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.59
LogP (Chemaxon):-0.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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