Chemical ID: 4201876

Cc1ccc(c(c1)[N+](=O)[O-])OCCOc2ccc(cc2)OC
Chemical ID:
4201876
Name [?]:
1-[2-(4-methoxyphenoxy)ethoxy]-4-methyl-2-nitro-benzene
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])OCCOc2ccc(cc2)OC
InChi [?]:
InChI=1/C16H17NO5/c1-12-3-8-16(15(11-12)17(18)19)22-10-9-21-14-6-4-13(20-2)5-7-14/h3-8,11H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,3,17,19,16,20,4,13,12,7,2,18,15,6,5,8,9,10,21,14,11/E:(4,5)(6,7)(18,19)/CRV:17.5/rA:22nCCCCCCCN+OO-OCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:0.287539
Area:511.968
Solvation:-12.5117
Coulombic:-31.9905
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:303.31
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.52
LogP (Chemaxon):3.58

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Descriptor Annotations

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