ChemDB: Chemical Search
Download
Chemical ID: 4502635
Chemical ID:
4502635
Name [?]:
N-[(2-chloro-6-fluoro-phenyl)methyl]quinuclidin-3-amine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC2CN3CCC2CC3)F
InChi [?]:
InChI=1/C14H18ClFN2/c15-12-2-1-3-13(16)11(12)8-17-14-9-18-6-4-10(14)5-7-18/h1-3,10,14,17H,4-9H2
InChi Info:
AuxInfo=1/0/N:1,6,2,14,16,13,17,8,11,15,4,5,3,10,7,18,9,12/E:(4,5)(6,7)/rA:18cCCCCCCClCNCCNCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s10s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18ClFN2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.52907 |
Area: | 424.088 |
Solvation: | -2.07312 |
Coulombic: | -18.6949 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.757 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.52 |
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 |
---|