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Chemical ID: 4285606

c1cc(ccc1[N+](=O)[O-])OCCCCCCOc2ccc(cc2)[N+](=O)[O-]

Chemical ID:

4285606

Name [?]:

1-nitro-4-[6-(4-nitrophenoxy)hexoxy]benzene

SMILES [?]:

c1cc(ccc1[N+](=O)[O-])OCCCCCCOc2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C18H20N2O6/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2

InChi Info:

AuxInfo=1/0/N:13,14,12,15,1,5,20,22,2,4,19,23,11,16,6,21,3,18,7,24,8,9,25,26,10,17/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22,23,24)(25,26)/CRV:19.5,20.5/rA:26nCCCCCCN+OO-OCCCCCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀N₂O₆
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	0.857103
Area:	626.099
Solvation:	-14.7954
Coulombic:	-37.9836

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	360.361
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	4.63
LogP (Chemaxon):	4.61

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