(9Z,12Z)-N-ISOPENTYLOCTADECA-9,12-DIENAMIDE

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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 UBDYIDHYYIWNDR-MURFETPASA-N
Smiles CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCC(C)C
InChI
InChI=1S/C23H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-21-20-22(2)3/h8-9,11-12,22H,4-7,10,13-21H2,1-3H3,(H,24,25)/b9-8-,12-11-

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H43NO
Molecular Weight 349.59
AlogP 7.57
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 0.0
Heavy Atoms 25.0

Cross References

Resources Reference
ChEMBL CHEMBL2289446
PubChem 76323953
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