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Chemical ID: 7206711
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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