Chemical ID: 6727223

c1cc(c2cccnc2c1)C(=O)[O-]
Chemical ID:
6727223
Name [?]:
quinoline-5-carboxylate
SMILES [?]:
c1cc(c2cccnc2c1)C(=O)[O-]
InChi [?]:
InChI=1/C10H7NO2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9/h1-6H,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,6,2,5,10,7,4,3,9,11,8,12,13/E:(12,13)/rA:13nCCCCCCCNCCCOO-/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6NO2-
All Atoms:19
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-33.0672
Area:320.503
Solvation:-41.0798
Coulombic:-7.77408
Bond Count [?]
All:14
Single:8
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:172.16
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.26
LogP (Chemaxon):1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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