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Chemical ID: 6655369

Chemical ID:

6655369

Name [?]:

3-(2-hydroxyphenyl)-1-(4-pyridyl)prop-2-en-1-one

SMILES [?]:

c1ccc(c(c1)C=CC(=O)c2ccncc2)O

InChi [?]:

InChI=1/C14H11NO2/c16-13-4-2-1-3-11(13)5-6-14(17)12-7-9-15-10-8-12/h1-10,16H

InChi Info:

AuxInfo=1/0/N:1,2,6,3,7,8,12,16,13,15,5,11,4,9,14,17,10/E:(7,8)(9,10)/rA:17nCCCCCCCCCOCCCNCCO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₁NO₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	6.70931
Area:	401.59
Solvation:	-3.33043
Coulombic:	-29.8408

Bond Count [?]

All:	18
Single:	10
Double:	8
Rotors:	3
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	225.243
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.19
LogP (Chemaxon):	2.42

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