Synonyms
Molecule Category Free-form
UNII M5YAV509FN
EPA CompTox DTXSID3046538
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
CAS NUMBER 5794-04-7
ChEMBL CHEMBL506889
FDA SRS M5YAV509FN
PubChem 440966
SureChEMBL SCHEMBL6675451
ZINC ZINC00968230