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Chemical ID: 7086352
Chemical ID:
7086352
Name [?]:
3,6-dimethyl-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc2c(c1)c(c(c(n2)c3ccccc3)C)C(=O)O
InChi [?]:
InChI=1/C18H15NO2/c1-11-8-9-15-14(10-11)16(18(20)21)12(2)17(19-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,15,14,16,13,17,3,4,7,2,9,12,6,5,8,10,19,11,20,21/E:(4,5)(6,7)(20,21)/rA:21nCCCCCCCCCCNCCCCCCCCOO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s9;s8;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO2 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48916 |
Area: | 462.464 |
Solvation: | -2.07244 |
Coulombic: | -35.1512 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 277.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.43 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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