ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7295304

Chemical ID:

7295304

Name [?]:

N-(2,5-dimethylphenyl)pyridine-2-carboxamide

SMILES [?]:

Cc1ccc(c(c1)NC(=O)c2ccccn2)C

InChi [?]:

InChI=1/C14H14N2O/c1-10-6-7-11(2)13(9-10)16-14(17)12-5-3-4-8-15-12/h3-9H,1-2H3,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,17,13,14,12,3,4,15,7,2,5,11,6,9,16,8,10/rA:17nCCCCCCCNCOCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s5;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄N₂O
All Atoms:	31
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.71445
Area:	414.941
Solvation:	-1.65906
Coulombic:	-28.8721

Bond Count [?]

All:	18
Single:	11
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	226.274
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.49
LogP (Chemaxon):	2.47

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