ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7518850

Chemical ID:

7518850

Name [?]:

N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide

SMILES [?]:

c1ccnc(c1)C(=O)NCCc2ccc(cc2)O

InChi [?]:

InChI=1/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,2,6,13,17,14,16,11,3,10,12,15,5,7,4,9,18,8/E:(4,5)(6,7)/rA:18nCCCNCCCONCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄N₂O₂
All Atoms:	32
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	8.53125
Area:	453.221
Solvation:	-2.79929
Coulombic:	-45.3626

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.73
LogP (Chemaxon):	None

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

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

Chemical Mix	Source	External ID	Descriptor	Value