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Chemical ID: 6365946

Chemical ID:

6365946

Name [?]:

N-(2-methoxy-4-nitro-phenyl)propanamide

SMILES [?]:

CCC(=O)Nc1ccc(cc1OC)[N+](=O)[O-]

InChi [?]:

InChI=1/C10H12N2O4/c1-3-10(13)11-8-5-4-7(12(14)15)6-9(8)16-2/h4-6H,3H2,1-2H3,(H,11,13)

InChi Info:

AuxInfo=1/1/N:1,13,2,8,7,10,9,6,11,3,5,14,4,15,16,12/E:(14,15)/CRV:12.5/rA:16nCCCONCCCCCCOCN+OO-/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₂N₂O₄
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	2.48813
Area:	402.54
Solvation:	-7.57536
Coulombic:	-38.1281

Bond Count [?]

All:	16
Single:	11
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	224.213
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	1.21
LogP (Chemaxon):	1.7

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