Molecule
ID:52968
General Information
Molecular Formula
C₁₃H₁₁ClO
Molecular Mass
218.67884
Exact Mass
218.04984265
Charge
0
InChI
InChI=1S/C13H11ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13,15H
InChIKey
DDCJHFYXAPQYLA-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C(c1ccccc1)O
Isomeric Smiles
c1c(cccc1C(O)c1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
13.664695
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5941808
LogD (pH = 7.4)
3.5941806
Log P
3.5941808
Molar Refractivity
61.9615
Polarizability
24.235624
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...