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Chemical ID: 6715601

Chemical ID:

6715601

Name [?]:

4-[2-(2,3-dimethoxyphenyl)vinyl]-1H-pyridine

SMILES [?]:

COc1cccc(c1OC)C=Cc2cc[nH+]cc2

InChi [?]:

InChI=1/C15H15NO2/c1-17-14-5-3-4-13(15(14)18-2)7-6-12-8-10-16-11-9-12/h3-11H,1-2H3/p+1

InChi Info:

AuxInfo=1/1/N:1,10,5,6,4,12,11,14,18,15,17,13,7,3,8,16,2,9/E:(8,9)(10,11)/rA:18nCOCCCCCCOCCCCCCN+CC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;w11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆NO₂₊
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-27.7315
Area:	409.636
Solvation:	-37.9724
Coulombic:	-5.65732

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	4
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	242.293
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.75
LogP (Chemaxon):	2.45

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