Chemical ID: 5267312

c1cc(ccc1OCC(=O)NC2CN3CCC2CC3)Cl
Chemical ID:
5267312
Name [?]:
2-(4-chlorophenoxy)-N-quinuclidin-3-yl-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)NC2CN3CCC2CC3)Cl
InChi [?]:
InChI=1/C15H19ClN2O2/c16-12-1-3-13(4-2-12)20-10-15(19)17-14-9-18-7-5-11(14)6-8-18/h1-4,11,14H,5-10H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,16,18,15,19,13,8,17,3,6,12,9,20,11,14,10,7/E:(1,2)(3,4)(5,6)(7,8)/rA:20cCCCCCCOCCONCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s17;s14s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19ClN2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.09695
Area:488.877
Solvation:-4.12497
Coulombic:-33.5687
Bond Count [?]
All:22
Single:18
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.776
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.15
LogP (Chemaxon):1.53

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