Chemical ID: 4906095

C[N+]1(CCOCC1)CC(=O)c2ccc(c(c2)O)O
Chemical ID:
4906095
Name [?]:
1-(3,4-dihydroxyphenyl)-2-(4-methyl-1-oxa-4-azoniacyclohex-4-yl)-ethanone
SMILES [?]:
C[N+]1(CCOCC1)CC(=O)c2ccc(c(c2)O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H18NO4+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-24.0057
Area:421.059
Solvation:-34.5321
Coulombic:-18.0264
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:252.286
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-0.67
LogP (Chemaxon):-4.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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