Chemical ID: 7281189

c1ccc(cc1)Oc2ccc(cc2)NC(=O)COc3cccc(c3)C#N
Chemical ID:
7281189
Name [?]:
2-(3-cyanophenoxy)-N-(4-phenoxyphenyl)-acetamide
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)NC(=O)COc3cccc(c3)C#N
InChi [?]:
InChI=1/C21H16N2O3/c22-14-16-5-4-8-20(13-16)25-15-21(24)23-17-9-11-19(12-10-17)26-18-6-2-1-3-7-18/h1-13H,15H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,3,5,20,10,12,9,13,24,25,17,23,11,4,8,19,15,26,14,16,18,7/E:(2,3)(6,7)(9,10)(11,12)/rA:26nCCCCCCOCCCCCCNCOCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O3
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.04313
Area:580.377
Solvation:-5.4663
Coulombic:-39.8055
Bond Count [?]
All:28
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:344.363
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.88
LogP (Chemaxon):4.12

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Descriptor Annotations

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