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Chemical ID: 6831921
Chemical ID:
6831921
Name [?]:
6-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c[nH]2)C(=O)[O-]
InChi [?]:
InChI=1/C11H9NO3/c1-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,7,11,2,6,10,5,8,13,12,9,14,15/E:(14,15)/rA:15nCCCCCCCCOCCNCOO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8NO3- |
All Atoms: | 23 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.6598 |
Area: | 356.561 |
Solvation: | -44.5738 |
Coulombic: | -18.9735 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 202.186 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.28 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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