Chemical ID: 6506199

CC1Cc2cc(ccc2O1)C(=O)CC[NH+]3CCOCC3
Chemical ID:
6506199
Name [?]:
1-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-(1-oxa-4-azoniacyclohex-4-yl)propan-1-one
SMILES [?]:
CC1Cc2cc(ccc2O1)C(=O)CC[NH+]3CCOCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H22NO3+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:-24.7869
Area:478.458
Solvation:-36.7484
Coulombic:11.4205
Bond Count [?]
All:22
Single:18
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.351
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.37
LogP (Chemaxon):1.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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