(E)-13-(ETHOXYIMINO)AZACYCLOHEXADECAN-2-ONE

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key OOPWYZNDXFKKEK-KNTRCKAVSA-N
Smiles CCO\N=C\1/CCCCCCCCCCC(=O)NCCC1
InChI
InChI=1S/C17H32N2O2/c1-2-21-19-16-12-9-7-5-3-4-6-8-10-14-17(20)18-15-11-13-16/h2-15H2,1H3,(H,18,20)/b19-16+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H32N2O2
Molecular Weight 296.45
AlogP 3.68
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 50.69
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL2252641
PubChem 76315493
CONTENTS