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Chemical ID: 6727223
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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