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Chemical ID: 6702576
Chemical ID:
6702576
Name [?]:
3-hydroxy-6-methoxy-1H-quinoxalin-2-one
SMILES [?]:
COc1ccc2c(c1)nc(c(=O)[nH]2)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:1,4,5,8,3,6,7,11,10,13,9,12,14,2/rA:14nCOCCCCCCNCCONO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;d11;s6s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.07542 |
Area: | 344.038 |
Solvation: | -3.52553 |
Coulombic: | -52.1681 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.171 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.65 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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