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Chemical ID: 7432877

Chemical ID:

7432877

Name [?]:

6-bromo-2,8-dimethyl-quinoline-4-carboxylic acid

SMILES [?]:

Cc1cc(cc2c1nc(cc2C(=O)O)C)Br

InChi [?]:

InChI=1/C12H10BrNO2/c1-6-3-8(13)5-9-10(12(15)16)4-7(2)14-11(6)9/h3-5H,1-2H3,(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,15,3,10,5,2,9,4,6,11,7,12,16,8,13,14/E:(15,16)/rA:16nCCCCCCCNCCCCOOCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₀BrNO₂
All Atoms:	26
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	8.14248
Area:	392.455
Solvation:	-1.66889
Coulombic:	-32.6928

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	280.117
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.08
LogP (Chemaxon):	2.77

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value