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Chemical ID: 6702170
Chemical ID:
6702170
Name [?]:
6-methoxy-2-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1cc(c2cc(ccc2n1)OC)C(=O)[O-]
InChi [?]:
InChI=1/C12H11NO3/c1-7-5-10(12(14)15)9-6-8(16-2)3-4-11(9)13-7/h3-6H,1-2H3,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,13,8,9,3,6,2,7,5,4,10,14,11,15,16,12/E:(14,15)/rA:16nCCCCCCCCCCNOCCOO-/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;s12;s4;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10NO3- |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.937 |
Area: | 378.174 |
Solvation: | -43.3914 |
Coulombic: | -13.0082 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 216.213 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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