Chemical ID: 4661338

c1ccc(cc1)C(=O)OC2CN3CCC2CC3
Chemical ID:
4661338
Name [?]:
quinuclidin-3-yl benzoate
SMILES [?]:
c1ccc(cc1)C(=O)OC2CN3CCC2CC3
InChi [?]:
InChI=1/C14H17NO2/c16-14(12-4-2-1-3-5-12)17-13-10-15-8-6-11(13)7-9-15/h1-5,11,13H,6-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,16,13,17,11,15,4,10,7,12,8,9/E:(2,3)(4,5)(6,7)(8,9)/rA:17cCCCCCCCOOCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s10s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.63956
Area:407.552
Solvation:-1.54925
Coulombic:-27.0364
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:231.29
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.38
LogP (Chemaxon):1.89

Name Annotations

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Descriptor Annotations

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