ChemDB: Chemical Search
Download
Chemical ID: 6323295
Chemical ID:
6323295
Name [?]:
N-butyl-2-phenoxy-acetamide
SMILES [?]:
CCCCNC(=O)COc1ccccc1
InChi [?]:
InChI=1/C12H17NO2/c1-2-3-9-13-12(14)10-15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,13,12,14,11,15,4,8,10,6,5,7,9/E:(5,6)(7,8)/rA:15nCCCCNCOCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.94696 |
Area: | 422.897 |
Solvation: | -3.62547 |
Coulombic: | -29.7136 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.46 |
LogP (Chemaxon): | 1.92 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|