Structure

InChI Key PTVWPYVOOKLBCG-ZDUSSCGKSA-N
Smiles 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

Related Entries

Cross References

Resources Reference
ChEBI 82722
ChEMBL CHEMBL1288810
DrugBank DB12472
DrugCentral 1568
FDA SRS 3O31P6T4G3
PubChem 65859
SureChEMBL SCHEMBL29043
ZINC ZINC000019594545