ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 4606511

Chemical ID:

4606511

Name [?]:

2,6-bis(4-methoxyphenyl)pyridine

SMILES [?]:

COc1ccc(cc1)c2cccc(n2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C19H17NO2/c1-21-16-10-6-14(7-11-16)18-4-3-5-19(20-18)15-8-12-17(22-2)13-9-15/h3-13H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,11,10,12,5,7,16,20,4,8,17,19,6,15,3,18,9,13,14,2,21/E:(1,2)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)(21,22)/rA:22nCOCCCCCCCCCCCNCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s13;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.46512
Area:	503.877
Solvation:	-4.13181
Coulombic:	-21.9574

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	291.344
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.66
LogP (Chemaxon):	4.4

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value