Chemical ID: 4560199

CC[N+]1(C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3)C
Chemical ID:
4560199
Name [?]:
(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl) 3-hydroxy-2-phenyl-propanoate
SMILES [?]:
CC[N+]1(C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H28NO3+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:-15.1187
Area:513.28
Solvation:-27.9507
Coulombic:-12.9391
Bond Count [?]
All:25
Single:21
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.431
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.98
LogP (Chemaxon):-2.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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