Molecule

ID:56319

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO₂
Molecular Mass
339.81542
Exact Mass
339.1026065
Charge
0
InChI
InChI=1S/C20H18ClNO2/c1-13(2)12-24-15-7-5-6-14(10-15)19-11-17(20(21)23)16-8-3-4-9-18(16)22-19/h3-11,13H,12H2,1-2H3
InChIKey
OSYCGLLFZWSYPK-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Cl)C
Isomeric Smiles
c1(cc(nc2c1cccc2)c1cc(OCC(C)C)ccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.441498
LogD (pH = 7.4)
5.44152
Log P
5.4415207
Molar Refractivity
96.0656
Polarizability
39.734985
Polar Surface Area
39.19
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation