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Chemical ID: 5186801
Chemical ID:
5186801
Name [?]:
1,8-dimethyl-4-oxo-quinoline-3-carboxylic acid
SMILES [?]:
Cc1cccc2c1n(cc(c2=O)C(=O)O)C
InChi [?]:
InChI=1/C12H11NO3/c1-7-4-3-5-8-10(7)13(2)6-9(11(8)14)12(15)16/h3-6H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,4,3,5,9,2,6,10,7,11,13,8,12,14,15/E:(15,16)/rA:16nCCCCCCCNCCCOCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s10;d11;s10;d13;s13;s8;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.49623 |
Area: | 372.804 |
Solvation: | -2.82386 |
Coulombic: | -41.3501 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 217.221 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.85 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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