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Chemical ID: 5145936
Chemical ID:
5145936
Name [?]:
6,8-dimethyl-2-(o-tolyl)quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccccc1c2cc(c3cc(cc(c3n2)C)C)C(=O)O
InChi [?]:
InChI=1/C19H17NO2/c1-11-8-13(3)18-15(9-11)16(19(21)22)10-17(20-18)14-7-5-4-6-12(14)2/h4-10H,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:19,1,18,4,5,3,6,14,12,9,13,2,15,7,11,10,8,16,20,17,21,22/E:(21,22)/rA:22nCCCCCCCCCCCCCCCCNCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s15;s13;s10;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1022 |
Area: | 479.076 |
Solvation: | -1.8747 |
Coulombic: | -35.0475 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 291.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.87 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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