Chemical ID: 5631736

CCOC(=O)c1cc2ccccc2nc1
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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