Structure

InChI Key PTVWPYVOOKLBCG-ZDUSSCGKSA-N
Smile OC[C@@H](O)CN1CCN(c2ccccc2)CC1
InChI
InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20N2O2
Molecular Weight 236.31
AlogP 0.16
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 46.94
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bronchial Diseases 3 D001982 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 99291-25-5
ChEBI 82722
ChEMBL CHEMBL1288810
DrugBank DB12472
DrugCentral 1568
EPA CompTox DTXSID8023210
FDA SRS 3O31P6T4G3
PubChem 65859
SureChEMBL SCHEMBL29043
ZINC ZINC000019594545