Structure

InChI Key ZQJVHBJDLMIKJK-MHDYBILJSA-N
Smiles Cl.N[C@@]1(c2ccccc2Cl)CCC[C@@H](O)C1=O
InChI
InChI=1S/C12H14ClNO2.ClH/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16;/h1-2,4-5,10,15H,3,6-7,14H2;1H/t10-,12-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15Cl2NO2
Molecular Weight 276.16
AlogP 1.61
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 63.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Cross References

Resources Reference
ChEMBL CHEMBL4650353
FDA SRS A2F3JNU7UV