ChemDB: Chemical Search
Download
Chemical ID: 4171497
Chemical ID:
4171497
Name [?]:
1-[(2-fluorophenyl)methyl]azepane
SMILES [?]:
c1ccc(c(c1)CN2CCCCCC2)F
InChi [?]:
InChI=1/C13H18FN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2
InChi Info:
AuxInfo=1/0/N:11,12,1,2,10,13,6,3,9,14,7,5,4,15,8/E:(1,2)(5,6)(9,10)/rA:15nCCCCCCCNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s8s13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18FN |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.25701 |
Area: | 371.652 |
Solvation: | -2.03428 |
Coulombic: | -10.5972 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 207.287 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.19 |
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 |
---|