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Chemical ID: 6330068
Chemical ID:
6330068
Name [?]:
2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylic acid
SMILES [?]:
CCc1ccc(cc1)c2cc(c3cc(ccc3n2)C)C(=O)O
InChi [?]:
InChI=1/C19H17NO2/c1-3-13-5-7-14(8-6-13)18-11-16(19(21)22)15-10-12(2)4-9-17(15)20-18/h4-11H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,2,15,4,8,5,7,16,13,10,14,3,6,12,11,17,9,20,18,21,22/E:(5,6)(7,8)(21,22)/rA:22nCCCCCCCCCCCCCCCCCNCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s14;s11;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5227 |
Area: | 497.165 |
Solvation: | -1.90643 |
Coulombic: | -35.3988 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.11 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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