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Chemical ID: 6708478
Chemical ID:
6708478
Name [?]:
1,6-dimethyl-4-oxo-quinoline-3-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(cn2C)C(=O)[O-]
InChi [?]:
InChI=1/C12H11NO3/c1-7-3-4-10-8(5-7)11(14)9(12(15)16)6-13(10)2/h3-6H,1-2H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,13,3,4,7,11,2,6,10,5,8,14,12,9,15,16/E:(15,16)/rA:16nCCCCCCCCOCCNCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s12;s10;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10NO3- |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.6639 |
Area: | 375.326 |
Solvation: | -45.0471 |
Coulombic: | -13.5539 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 216.213 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.58 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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