Chemical ID: 3966056

C[N+]12CCC(CC1)C(C2)OC(=O)C(c3ccccc3)(c4ccccc4)O
Chemical ID:
3966056
Name [?]:
(1-methyl-1-azoniabicyclo[2.2.2]oct-5-yl) 2-hydroxy-2,2-diphenyl-acetate
SMILES [?]:
C[N+]12CCC(CC1)C(C2)OC(=O)C(c3ccccc3)(c4ccccc4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26NO3+
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:-15.635
Area:542.588
Solvation:-29.1997
Coulombic:-17.8108
Bond Count [?]
All:29
Single:22
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.447
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.89
LogP (Chemaxon):-1.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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