Chemical ID: 4285954

c1cc(ccc1[N+](=O)[O-])OCCCCCOc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
4285954
Name [?]:
1-nitro-4-[5-(4-nitrophenoxy)pentoxy]benzene
SMILES [?]:
c1cc(ccc1[N+](=O)[O-])OCCCCCOc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H18N2O6/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2
InChi Info:
AuxInfo=1/0/N:13,12,14,1,5,19,21,2,4,18,22,11,15,6,20,3,17,7,23,8,9,24,25,10,16/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(16,17)(18,19)(20,21,22,23)(24,25)/CRV:18.5,19.5/rA:25nCCCCCCN+OO-OCCCCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-0.033637
Area:599.234
Solvation:-15.0145
Coulombic:-37.4182
Bond Count [?]
All:26
Single:18
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:346.335
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:4.28
LogP (Chemaxon):4.22

Name Annotations

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Descriptor Annotations

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