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Chemical ID: 7509501

Chemical ID:

7509501

Name [?]:

N-(2-furylmethyl)-N-(4-hydroxyphenyl)-furan-2-carboxamide

SMILES [?]:

c1cc(oc1)CN(c2ccc(cc2)O)C(=O)c3ccco3

InChi [?]:

InChI=1/C16H13NO4/c18-13-7-5-12(6-8-13)17(11-14-3-1-9-20-14)16(19)15-4-2-10-21-15/h1-10,18H,11H2

InChi Info:

AuxInfo=1/0/N:1,19,2,18,9,13,10,12,5,20,6,8,11,3,17,15,7,14,16,4,21/E:(5,6)(7,8)/rA:21nCCCOCCNCCCCCCOCOCCCCO/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s11;s7;d15;s15;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃NO₄
All Atoms:	34
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	7.44034
Area:	448.531
Solvation:	-3.77293
Coulombic:	-49.0307

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.84
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

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Chemical Mix	Source	External ID	Descriptor	Value