ChemDB: Chemical Search
Download
Chemical ID: 4396706
Chemical ID:
4396706
Name [?]:
1-azepan-1-yl-2-(4-fluorophenyl)-ethanone
SMILES [?]:
c1cc(ccc1CC(=O)N2CCCCCC2)F
InChi [?]:
InChI=1/C14H18FNO/c15-13-7-5-12(6-8-13)11-14(17)16-9-3-1-2-4-10-16/h5-8H,1-4,9-11H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,1,5,2,4,11,16,7,6,3,8,17,10,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s10s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18FNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.2564 |
Area: | 405.635 |
Solvation: | -2.88447 |
Coulombic: | -20.3911 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.56 |
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 |
---|