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Chemical ID: 4602380
Chemical ID:
4602380
Name [?]:
3-(p-tolyl)quinuclidin-3-ol
SMILES [?]:
Cc1ccc(cc1)C2(CN3CCC2CC3)O
InChi [?]:
InChI=1/C14H19NO/c1-11-2-4-12(5-3-11)14(16)10-15-8-6-13(14)7-9-15/h2-5,13,16H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,12,14,11,15,9,2,5,13,8,10,16/E:(2,3)(4,5)(6,7)(8,9)/rA:16cCCCCCCCCCNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s8s12;s13;s10s14;s8;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.57692 |
Area: | 372.181 |
Solvation: | -1.7276 |
Coulombic: | -24.158 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 217.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.82 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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