Molecule

ID:58802

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₇ClO
Molecular Mass
308.80138
Exact Mass
308.09679284
Charge
0
InChI
InChI=1S/C20H17ClO/c21-19-13-11-16(12-14-19)15-20(22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22H,15H2
InChIKey
GKNSRWXOHBCRTI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CC(c1ccccc1)(c1ccccc1)O
Isomeric Smiles
c1(ccc(cc1)CC(c1ccccc1)(c1ccccc1)O)Cl
Calculated Properties
JChem
Acid pKa
13.27831
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.3923645
LogD (pH = 7.4)
5.3923635
Log P
5.3923645
Molar Refractivity
91.4197
Polarizability
35.618694
Polar Surface Area
20.23
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