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Chemical ID: 4167831

Chemical ID:

4167831

Name [?]:

N-phenethylfuran-2-carboxamide

SMILES [?]:

c1ccc(cc1)CCNC(=O)c2ccco2

InChi [?]:

InChI=1/C13H13NO2/c15-13(12-7-4-10-16-12)14-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,2,6,14,3,5,13,7,8,15,4,12,10,9,11,16/E:(2,3)(5,6)/rA:16nCCCCCCCCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₃NO₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	8.25621
Area:	417.58
Solvation:	-2.18329
Coulombic:	-32.1911

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	215.248
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.0
LogP (Chemaxon):	1.92

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