ChemDB: Chemical Search
Download
Chemical ID: 4241546
Chemical ID:
4241546
Name [?]:
1-[2-(4-fluorophenoxy)ethyl]azepane
SMILES [?]:
c1cc(ccc1OCCN2CCCCCC2)F
InChi [?]:
InChI=1/C14H20FNO/c15-13-5-7-14(8-6-13)17-12-11-16-9-3-1-2-4-10-16/h5-8H,1-4,9-12H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,2,4,1,5,11,16,9,8,3,6,17,10,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCOCCNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s10s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20FNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.91584 |
Area: | 418.224 |
Solvation: | -3.53977 |
Coulombic: | -16.2896 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.313 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.03 |
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 |
---|