Molecule

ID:57116

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₂
Molecular Mass
325.78884
Exact Mass
325.08695644
Charge
0
InChI
InChI=1S/C19H16ClNO2/c1-3-12-4-9-17-15(10-12)16(19(20)22)11-18(21-17)13-5-7-14(23-2)8-6-13/h4-11H,3H2,1-2H3
InChIKey
STQYYOUIZVRNSJ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)c(cc(n2)c1ccc(cc1)OC)C(=O)Cl
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)c1ccc(cc1)OC)C(=O)Cl)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.1551633
LogD (pH = 7.4)
5.155207
Log P
5.1552076
Molar Refractivity
91.9636
Polarizability
37.802418
Polar Surface Area
39.19
Rotatable Bonds
4
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