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Chemical ID: 5147846
Chemical ID:
5147846
Name [?]:
6-ethyl-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
CCc1ccc2c(c1)c(cc(n2)c3ccccc3)C(=O)O
InChi [?]:
InChI=1/C18H15NO2/c1-2-12-8-9-16-14(10-12)15(18(20)21)11-17(19-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,14,18,4,5,8,10,3,13,7,9,6,11,19,12,20,21/E:(4,5)(6,7)(20,21)/rA:21nCCCCCCCCCCCNCCCCCCCOO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s9;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95405 |
Area: | 474.659 |
Solvation: | -1.91244 |
Coulombic: | -35.6511 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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