Chemical ID: 4502635

c1cc(c(c(c1)Cl)CNC2CN3CCC2CC3)F
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

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