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Chemical ID: 6663525
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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