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Chemical ID: 5631736
Chemical ID:
5631736
Name [?]:
ethyl quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cc2ccccc2nc1
InChi [?]:
InChI=1/C12H11NO2/c1-2-15-12(14)10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,12,7,15,8,6,13,4,14,5,3/rA:15nCCOCOCCCCCCCCNC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;d11;s8s12;d13;d6s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.81271 |
Area: | 382.4 |
Solvation: | -1.74729 |
Coulombic: | -25.9978 |
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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