N-(3-OXODECANOYL)-2-PYRROLIDINONE

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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 HZSKOCKRDDVQTQ-UHFFFAOYSA-N
Smiles CCCCCCCC(=O)CC(=O)N1CCCC1=O
InChI
InChI=1S/C14H23NO3/c1-2-3-4-5-6-8-12(16)11-14(18)15-10-7-9-13(15)17/h2-11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H23NO3
Molecular Weight 253.34
AlogP 2.48
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 54.45
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL2269841
PubChem 10753384
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