Synonyms
Molecule Category Free-form
UNII 0074597P6R
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 CRPUJAZIXJMDBK-BDAKNGLRSA-N
Smiles CC1(C)[C@H]2CC[C@H](C2)C1=C
InChI
InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16
Molecular Weight 136.23
AlogP 2.93
Heavy Atoms 10.0

Cross References

Resources Reference
ChEMBL CHEMBL506889
FDA SRS 0074597P6R
PubChem 440966
SureChEMBL SCHEMBL6675451
ZINC ZINC00968230