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Chemical ID: 6341020

Chemical ID:

6341020

Name [?]:

N-(4-methyl-3-nitro-phenyl)furan-2-carboxamide

SMILES [?]:

Cc1ccc(cc1[N+](=O)[O-])NC(=O)c2ccco2

InChi [?]:

InChI=1/C12H10N2O4/c1-8-4-5-9(7-10(8)14(16)17)13-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,13,15)

InChi Info:

AuxInfo=1/1/N:1,16,15,3,4,17,6,2,5,7,14,12,11,8,13,9,10,18/E:(16,17)/CRV:14.5/rA:18nCCCCCCCN+OO-NCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;s11;d12;s12;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₀N₂O₄
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	3.09901
Area:	421.502
Solvation:	-7.43855
Coulombic:	-41.7136

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	246.219
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.69
LogP (Chemaxon):	2.47

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value