Chemical ID: 4836154

CCOc1ccc(cc1C[N+]2(CCOCC2)C)Br
Chemical ID:
4836154
Name [?]:
4-[(5-bromo-2-ethoxy-phenyl)methyl]-4-methyl-1-oxa-4-azoniacyclohexane
SMILES [?]:
CCOc1ccc(cc1C[N+]2(CCOCC2)C)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H21BrNO2+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-17.6011
Area:435.712
Solvation:-28.4939
Coulombic:7.83898
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:315.226
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.24
LogP (Chemaxon):-2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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