BETA-SELINENE

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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 YOVSPTNQHMDJAG-QLFBSQMISA-N
Smiles CC(=C)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2C1
InChI
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.35
AlogP 4.81
Number of Rotational Bond 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
ChEMBL CHEMBL2287242
PubChem 442393
SureChEMBL SCHEMBL309336
CONTENTS