Chemical ID: 4663682

COC(=O)c1ccc2c(c1)cccn2
Chemical ID:
4663682
Name [?]:
methyl quinoline-6-carboxylate
SMILES [?]:
COC(=O)c1ccc2c(c1)cccn2
InChi [?]:
InChI=1/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,6,7,13,10,9,5,8,3,14,4,2/rA:14nCOCOCCCCCCCCCN/rB:s1;s2;d3;s3;s5;d6;s7;s8;d5s9;d9;s11;d12;d8s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.79446
Area:354.379
Solvation:-2.06502
Coulombic:-25.3266
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:187.195
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.06
LogP (Chemaxon):1.68

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Descriptor Annotations

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