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Chemical ID: 7477356

Chemical ID:

7477356

Name [?]:

N-(2-methoxyphenyl)-2-(2-nitrophenoxy)-acetamide

SMILES [?]:

COc1ccccc1NC(=O)COc2ccccc2[N+](=O)[O-]

InChi [?]:

InChI=1/C15H14N2O5/c1-21-13-8-4-2-6-11(13)16-15(18)10-22-14-9-5-3-7-12(14)17(19)20/h2-9H,10H2,1H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,6,17,5,16,7,18,4,15,12,8,19,3,14,10,9,20,11,21,22,2,13/E:(19,20)/CRV:17.5/rA:22nCOCCCCCCNCOCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄N₂O₅
All Atoms:	36
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	-0.339127
Area:	495.517
Solvation:	-12.7271
Coulombic:	-45.2486

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	302.282
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.36
LogP (Chemaxon):	2.58

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