ChemDB: Chemical Search
Download
Chemical ID: 6366996
Chemical ID:
6366996
Name [?]:
(4-ethylpiperazin-1-yl)-(2-fluorophenyl)-methanone
SMILES [?]:
CCN1CCN(CC1)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C13H17FN2O/c1-2-15-7-9-16(10-8-15)13(17)11-5-3-4-6-12(11)14/h3-6H,2,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,14,12,15,4,8,5,7,11,16,9,17,3,6,10/E:(7,8)(9,10)/rA:17nCCNCCNCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17FN2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.98731 |
Area: | 406.138 |
Solvation: | -3.16615 |
Coulombic: | -25.875 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 236.285 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.47 |
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 |
---|