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Chemical ID: 4602360
Chemical ID:
4602360
Name [?]:
(3-cyanoquinuclidin-3-yl) acetate
SMILES [?]:
CC(=O)OC1(CN2CCC1CC2)C#N
InChi [?]:
InChI=1/C10H14N2O2/c1-8(13)14-10(6-11)7-12-4-2-9(10)3-5-12/h9H,2-5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,11,8,12,13,6,2,10,5,14,7,3,4/E:(2,3)(4,5)/rA:14cCCOOCCNCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s7s11;s5;t13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.55483 |
Area: | 346.767 |
Solvation: | -2.11434 |
Coulombic: | -26.8815 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 194.23 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -0.09 |
LogP (Chemaxon): | 0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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