Chemical ID: 6702170

Cc1cc(c2cc(ccc2n1)OC)C(=O)[O-]
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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