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Chemical ID: 7196882
Chemical ID:
7196882
Name [?]:
2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylate
SMILES [?]:
Cc1c(cn(n1)C)c2cc(c3ccccc3n2)C(=O)[O-]
InChi [?]:
InChI=1/C15H13N3O2/c1-9-12(8-18(2)17-9)14-7-11(15(19)20)10-5-3-4-6-13(10)16-14/h3-8H,1-2H3,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,7,13,14,12,15,9,4,2,11,10,3,16,8,18,17,6,5,19,20/E:(19,20)/rA:20nCCCCNNCCCCCCCCCCNCOO-/rB:s1;s2;d3;s4;d2s5;s5;s3;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N3O2- |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.1265 |
Area: | 442.026 |
Solvation: | -41.1772 |
Coulombic: | -12.3673 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.275 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.92 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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