ChemDB: Chemical Search
Download
Chemical ID: 7252760
Chemical ID:
7252760
Name [?]:
2-(3-cyanophenoxy)-N-cyclohexyl-acetamide
SMILES [?]:
c1cc(cc(c1)OCC(=O)NC2CCCCC2)C#N
InChi [?]:
InChI=1/C15H18N2O2/c16-10-12-5-4-8-14(9-12)19-11-15(18)17-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,11H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,2,13,17,6,4,18,8,3,12,5,9,19,11,10,7/E:(2,3)(6,7)/rA:19nCCCCCCOCCONCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s3;t18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O2 |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9031 |
Area: | 478.918 |
Solvation: | -4.06985 |
Coulombic: | -32.1728 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 258.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.12 |
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 |
---|