Molecule

ID:56464

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₂ClNO
Molecular Mass
351.86918
Exact Mass
351.13899201
Charge
0
InChI
InChI=1S/C22H22ClNO/c1-13(2)9-16-5-7-17(8-6-16)20-12-19(22(23)25)18-11-14(3)10-15(4)21(18)24-20/h5-8,10-13H,9H2,1-4H3
InChIKey
UNJYXRBOIDTGDC-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C)C
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)CC(C)C)C(=O)Cl)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.071269
LogD (pH = 7.4)
7.0713086
Log P
7.071309
Molar Refractivity
104.7324
Polarizability
42.552406
Polar Surface Area
29.96
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