Chemical ID: 3957432

CC(C)(C)C(=O)CN1c2ccccc2OCC1=O
Chemical ID:
3957432
Name [?]:
10-(3,3-dimethyl-2-oxo-butyl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CC(C)(C)C(=O)CN1c2ccccc2OCC1=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H17NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.871
Area:416.57
Solvation:-3.54325
Coulombic:-32.7921
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:247.29
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.19
LogP (Chemaxon):2.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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