Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure

InChI Key CFBVGSWSOJBYGC-ZYHUDNBSSA-N
Smile N[C@@]1(c2ccccc2Cl)CCC[C@@H](O)C1=O
InChI
InChI=1S/C12H14ClNO2/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/t10-,12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14ClNO2
Molecular Weight 239.7
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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4650718