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Chemical ID: 7056042

CCOCCOc1ccc(cc1)OCC(=O)Nc2cc(ccc2Cl)[N+](=O)[O-]

Chemical ID:

7056042

Name [?]:

N-(2-chloro-5-nitro-phenyl)-2-[4-(2-ethoxyethoxy)phenoxy]-acetamide

SMILES [?]:

CCOCCOc1ccc(cc1)OCC(=O)Nc2cc(ccc2Cl)[N+](=O)[O-]

InChi [?]:

InChI=1/C18H19ClN2O6/c1-2-25-9-10-26-14-4-6-15(7-5-14)27-12-18(22)20-17-11-13(21(23)24)3-8-16(17)19/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,2,21,8,12,9,11,22,4,5,19,14,20,7,10,23,18,15,24,17,25,16,26,27,3,6,13/E:(4,5)(6,7)(23,24)/CRV:21.5/rA:27nCCOCCOCCCCCCOCCONCCCCCCClN+OO-/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉ClN₂O₆
All Atoms:	46
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	3.78017
Area:	639.878
Solvation:	-12.2168
Coulombic:	-53.4023

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	394.806
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.21
LogP (Chemaxon):	2.62

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value