Structure

InChI Key WKWOJBUWWZTUQV-SPUOUPEWSA-N
Smile C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2
InChI
InChI=1S/C17H24NO3/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12/h3-7,13-16,19H,8-11H2,1-2H3/q+1/t13-,14+,15+,16?

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24NO3+
Molecular Weight 290.38
AlogP 2.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1201235
DrugCentral 1380
EPA CompTox DTXSID10858832
FDA SRS P97OGJ7L1L
PubChem 5282592
SureChEMBL SCHEMBL16784195