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Chemical ID: 5752712
Chemical ID:
5752712
Name [?]:
6-methoxy-1,4-dihydroquinoxaline-2,3-dione
SMILES [?]:
COc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2
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:1,4,5,8,3,6,7,12,10,14,9,13,11,2/rA:14nCOCCCCCCNCOCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s6s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.08355 |
Area: | 343.013 |
Solvation: | -3.49177 |
Coulombic: | -51.1928 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.171 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | -0.08 |
LogP (Chemaxon): | 0.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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