SILPHINENE

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Synonyms
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 VHIAMHVUKUKCHP-UXOAXIEHSA-N
Smiles C[C@@H]1CC[C@@H]2C(C)(C)C[C@]3(C)CC=C[C@]123
InChI
InChI=1S/C15H24/c1-11-6-7-12-13(2,3)10-14(4)8-5-9-15(11,12)14/h5,9,11-12H,6-8,10H2,1-4H3/t11-,12-,14+,15+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.35
AlogP 3.88
Heavy Atoms 15.0

Cross References

Resources Reference
ChEMBL CHEMBL458374
PubChem 44567200
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