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Chemical ID: 7085824

Chemical ID:

7085824

Name [?]:

3,6-dimethyl-2-(p-tolyl)quinoline-4-carboxylic acid

SMILES [?]:

Cc1ccc(cc1)c2c(c(c3cc(ccc3n2)C)C(=O)O)C

InChi [?]:

InChI=1/C19H17NO2/c1-11-4-7-14(8-5-11)18-13(3)17(19(21)22)15-10-12(2)6-9-16(15)20-18/h4-10H,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,18,22,3,7,14,4,6,15,12,2,13,9,5,11,16,10,8,19,17,20,21/E:(4,5)(7,8)(21,22)/rA:22nCCCCCCCCCCCCCCCCNCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s13;s10;d19;s19;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇NO₂
All Atoms:	39
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0441
Area:	484.02
Solvation:	-2.05643
Coulombic:	-34.8874

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):	4.97

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value