N-HEXADECYLCINNAMAMIDE

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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 ALWFJQMBWASSLV-QURGRASLSA-N
Smiles CCCCCCCCCCCCCCCCNC(=O)\C=C\c1ccccc1
InChI
InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-26-25(27)22-21-24-19-16-15-17-20-24/h15-17,19-22H,2-14,18,23H2,1H3,(H,26,27)/b22-21+

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H41NO
Molecular Weight 371.6
AlogP 8.31
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 17.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Cross References

Resources Reference
ChEMBL CHEMBL2285924
PubChem 5792745
SureChEMBL SCHEMBL2727701
CONTENTS