Chemical ID: 7206711

COc1cc(ccc1OCC(=O)Nc2ccccc2)C#N
Chemical ID:
7206711
Name [?]:
2-(4-cyano-2-methoxy-phenoxy)-N-phenyl-acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)Nc2ccccc2)C#N
InChi [?]:
InChI=1/C16H14N2O3/c1-20-15-9-12(10-17)7-8-14(15)21-11-16(19)18-13-5-3-2-4-6-13/h2-9H,11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,6,7,4,20,10,5,14,8,3,11,21,13,12,2,9/E:(3,4)(5,6)/rA:21nCOCCCCCCOCCONCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s5;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O3
All Atoms:35
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.64997
Area:500.566
Solvation:-6.86419
Coulombic:-37.2895
Bond Count [?]
All:22
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:282.294
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.05
LogP (Chemaxon):2.44

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