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Chemical ID: 7238548
Chemical ID:
7238548
Name [?]:
1H-quinoline-4-carboxylic acid
SMILES [?]:
c1ccc2c(c1)c(cc[nH+]2)C(=O)O
InChi [?]:
InChI=1/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,9,5,7,4,11,10,12,13/E:(12,13)/rA:13nCCCCCCCCCN+COO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s7;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8NO2+ |
All Atoms: | 21 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -26.0795 |
Area: | 321.918 |
Solvation: | -34.1274 |
Coulombic: | -18.1252 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.74 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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