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Chemical ID: 7269840
Chemical ID:
7269840
Name [?]:
2-(2-cyanophenoxy)-N-[1-(4-pyridyl)ethyl]acetamide
SMILES [?]:
CC(c1ccncc1)NC(=O)COc2ccccc2C#N
InChi [?]:
InChI=1/C16H15N3O2/c1-12(13-6-8-18-9-7-13)19-16(20)11-21-15-5-3-2-4-14(15)10-17/h2-9,12H,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,4,8,5,7,20,12,2,3,19,14,10,21,6,9,11,13/E:(6,7)(8,9)/rA:21cCCCCCNCCNCOCOCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;t20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N3O2 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.32727 |
Area: | 507.09 |
Solvation: | -5.34998 |
Coulombic: | -36.0914 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 281.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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