Chemical ID: 7299470

c1ccc(c(c1)C#N)OCC(=O)Oc2ccc(cc2)c3ccc(cc3)C#N
Chemical ID:
7299470
Name [?]:
[4-(4-cyanophenyl)phenyl] 2-(2-cyanophenoxy)acetate
SMILES [?]:
c1ccc(c(c1)C#N)OCC(=O)Oc2ccc(cc2)c3ccc(cc3)C#N
InChi [?]:
InChI=1/C22H14N2O3/c23-13-16-5-7-17(8-6-16)18-9-11-20(12-10-18)27-22(25)15-26-21-4-2-1-3-19(21)14-24/h1-12H,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,22,24,21,25,16,18,15,19,26,7,10,23,20,17,5,14,4,11,27,8,12,9,13/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCCNOCCOOCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d23;d20s24;s23;t26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H14N2O3
All Atoms:41
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4785
Area:612.458
Solvation:-4.83295
Coulombic:-35.2275
Bond Count [?]
All:29
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.358
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.32
LogP (Chemaxon):4.36

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