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Chemical ID: 5267312
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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