Chemical ID: 5077944

CCOC(=O)c1ccc2c(c1)cccn2
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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Descriptor Annotations

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