ChemDB: Chemical Search
Download
Chemical ID: 4719932
Chemical ID:
4719932
Name [?]:
2-chloro-1-(4-phenylpiperazin-1-yl)-ethanone
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)C(=O)CCl
InChi [?]:
InChI=1/C12H15ClN2O/c13-10-12(16)15-8-6-14(7-9-15)11-4-2-1-3-5-11/h1-5H,6-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,12,9,11,15,4,13,16,7,10,14/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCNCCNCCCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15ClN2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.22404 |
Area: | 414.272 |
Solvation: | -3.13276 |
Coulombic: | -22.5813 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 238.713 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.9 |
LogP (Chemaxon): | 2.01 |
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 |
---|