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Chemical ID: 4373936

Cc1ccc(c(c1)[N+](=O)[O-])OCCOCCOc2cccc(c2)OC

Chemical ID:

4373936

Name [?]:

1-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-2-nitro-benzene

SMILES [?]:

Cc1ccc(c(c1)[N+](=O)[O-])OCCOCCOc2cccc(c2)OC

InChi [?]:

InChI=1/C18H21NO6/c1-14-6-7-18(17(12-14)19(20)21)25-11-9-23-8-10-24-16-5-3-4-15(13-16)22-2/h3-7,12-13H,8-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,25,20,21,19,3,4,15,13,16,12,7,23,2,22,18,6,5,8,9,10,24,14,17,11/E:(20,21)/CRV:19.5/rA:25nCCCCCCCN+OO-OCCOCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁NO₆
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	0.229484
Area:	584.684
Solvation:	-14.3876
Coulombic:	-39.4555

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	347.362
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.59
LogP (Chemaxon):	3.41

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