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Chemical ID: 4637696
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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