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Chemical ID: 5484274
Chemical ID:
5484274
Name [?]:
2-(4-cyanophenoxy)-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)NC(=O)COc1ccc(cc1)C#N
InChi [?]:
InChI=1/C13H16N2O2/c1-13(2,3)15-12(16)9-17-11-6-4-10(8-14)5-7-11/h4-7H,9H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,14,11,15,16,8,13,10,6,2,17,5,7,9/E:(1,2,3)(4,5)(6,7)/rA:17nCCCCNCOCOCCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;t16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.05917 |
Area: | 443.001 |
Solvation: | -4.01586 |
Coulombic: | -31.5094 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 232.278 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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