Keyword(s): Natural Toxins
Molecule Category Free-form
EPA CompTox DTXSID00420148

Structure

InChI Key KYIYXWHVYGBAKF-YIXJMHAVSA-N
Smiles C[C@@H]1C[C@]23[C@@H]4CCCN2CCC[C@@H]3[C@@H](C[C@H]4O)C1=O
InChI
InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3/t10-,11-,12-,13-,14-,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25NO2
Molecular Weight 263.19
AlogP 1.84
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 40.54
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 664-23-3
NORMAN SUSDAT
PubChem 5462440
ChemSpider 30791171.0