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Chemical ID: 6965208
Chemical ID:
6965208
Name [?]:
N-(4-cyanophenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccc(cc2)C#N
InChi [?]:
InChI=1/C16H14N2O2/c1-12-3-2-4-15(9-12)20-11-16(19)18-14-7-5-13(10-17)6-8-14/h2-9H,11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,15,17,14,18,7,19,9,2,16,13,6,10,20,12,11,8/E:(5,6)(7,8)/rA:20nCCCCCCCOCCONCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O2 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82312 |
Area: | 486.899 |
Solvation: | -4.34935 |
Coulombic: | -31.8595 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 266.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.84 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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