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Chemical ID: 6663525

c1ccc(c(c1)[N+](=O)[O-])OCCCCCCCCCCOc2ccccc2[N+](=O)[O-]

Chemical ID:

6663525

Name [?]:

1,10-bis(2-nitrophenoxy)decane

SMILES [?]:

c1ccc(c(c1)[N+](=O)[O-])OCCCCCCCCCCOc2ccccc2[N+](=O)[O-]

InChi [?]:

InChI=1/C22H28N2O6/c25-23(26)19-13-7-9-15-21(19)29-17-11-5-3-1-2-4-6-12-18-30-22-16-10-8-14-20(22)24(27)28/h7-10,13-16H,1-6,11-12,17-18H2

InChi Info:

AuxInfo=1/0/N:15,16,14,17,13,18,1,25,2,24,12,19,6,26,3,23,11,20,5,27,4,22,7,28,8,9,29,30,10,21/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)(25,26,27,28)(29,30)/CRV:23.5,24.5/rA:30nCCCCCCN+OO-OCCCCCCCCCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s27;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₂O₆
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	0.260713
Area:	717.129
Solvation:	-17.6675
Coulombic:	-38.7714

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	416.468
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	6.91
LogP (Chemaxon):	6.2

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