Chemical ID: 4201687

Cc1ccc(c(c1)[N+](=O)[O-])OCCCCOc2ccccc2OC
Chemical ID:
4201687
Name [?]:
1-[4-(2-methoxyphenoxy)butoxy]-4-methyl-2-nitro-benzene
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])OCCCCOc2ccccc2OC
InChi [?]:
InChI=1/C18H21NO5/c1-14-9-10-16(15(13-14)19(20)21)23-11-5-6-12-24-18-8-4-3-7-17(18)22-2/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,20,19,13,14,21,18,3,4,12,15,7,2,6,5,22,17,8,9,10,23,11,16/E:(20,21)/CRV:19.5/rA:24nCCCCCCCN+OO-OCCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:1.96804
Area:568.258
Solvation:-12.2384
Coulombic:-33.7667
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:331.363
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.23
LogP (Chemaxon):4.08

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Descriptor Annotations

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