Chemical ID: 6702576

COc1ccc2c(c1)nc(c(=O)[nH]2)O
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

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Descriptor Annotations

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