ChemDB: Chemical Search
Download
Chemical ID: 4177462
Chemical ID:
4177462
Name [?]:
2-(4-chlorophenoxy)-1-(1-piperidyl)ethanone
SMILES [?]:
c1cc(ccc1OCC(=O)N2CCCCC2)Cl
InChi [?]:
InChI=1/C13H16ClNO2/c14-11-4-6-12(7-5-11)17-10-13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2
InChi Info:
AuxInfo=1/0/N:14,13,15,2,4,1,5,12,16,8,3,6,9,17,11,10,7/E:(2,3)(4,5)(6,7)(8,9)/rA:17nCCCCCCOCCONCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16ClNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.34789 |
Area: | 443.044 |
Solvation: | -3.72821 |
Coulombic: | -24.436 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.724 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.2 |
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 |
---|