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Chemical ID: 5077944
Chemical ID:
5077944
Name [?]:
ethyl quinoline-6-carboxylate
SMILES [?]:
CCOC(=O)c1ccc2c(c1)cccn2
InChi [?]:
InChI=1/C12H11NO2/c1-2-15-12(14)10-5-6-11-9(8-10)4-3-7-13-11/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,7,8,14,11,10,6,9,4,15,5,3/rA:15nCCOCOCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;d10;s12;d13;d9s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60816 |
Area: | 383.505 |
Solvation: | -1.97947 |
Coulombic: | -25.638 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.221 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.48 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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