ChemDB: Chemical Search
Download
Chemical ID: 7108745
Chemical ID:
7108745
Name [?]:
N-[(2-chlorophenyl)methyl]cyclooctanamine
SMILES [?]:
c1ccc(c(c1)CNC2CCCCCCC2)Cl
InChi [?]:
InChI=1/C15H22ClN/c16-15-11-7-6-8-13(15)12-17-14-9-4-2-1-3-5-10-14/h6-8,11,14,17H,1-5,9-10,12H2
InChi Info:
AuxInfo=1/0/N:13,12,14,11,15,1,2,6,10,16,3,7,5,9,4,17,8/E:(2,3)(4,5)(9,10)/rA:17nCCCCCCCNCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s9s15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22ClN |
All Atoms: | 39 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95721 |
Area: | 433.261 |
Solvation: | -0.874314 |
Coulombic: | -12.5485 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.795 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.47 |
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 |
---|