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Chemical ID: 6698783
Chemical ID:
6698783
Name [?]:
4-oxo-1H-quinoline-3-carboxylate
SMILES [?]:
c1ccc2c(c1)c(=O)c(c[nH]2)C(=O)[O-]
InChi [?]:
InChI=1/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,5,9,4,7,12,11,8,13,14/E:(13,14)/rA:14nCCCCCCCOCCNCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6NO3- |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -36.2572 |
Area: | 337.19 |
Solvation: | -44.687 |
Coulombic: | -19.2458 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 188.16 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.84 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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