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Chemical ID: 4190973

CC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-]

Chemical ID:

4190973

Name [?]:

N-(4-acetylphenyl)-5-(3-nitrophenyl)-furan-2-carboxamide

SMILES [?]:

CC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-]

InChi [?]:

InChI=1/C19H14N2O5/c1-12(22)13-5-7-15(8-6-13)20-19(23)18-10-9-17(26-18)14-3-2-4-16(11-14)21(24)25/h2-11H,1H3,(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,20,19,21,5,9,6,8,15,14,23,2,4,18,7,22,16,13,11,10,24,3,12,25,26,17/E:(5,6)(7,8)(24,25)/CRV:21.5/rA:26nCCOCCCCCCNCOCCCCOCCCCCCN+OO-/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s22;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₄N₂O₅
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	5.34857
Area:	573.564
Solvation:	-8.99053
Coulombic:	-49.8624

Bond Count [?]

All:	28
Single:	17
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	350.325
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.26
LogP (Chemaxon):	2.76

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