Molecule

ID:52347

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO
Molecular Mass
182.64674
Exact Mass
182.04984265
Charge
0
InChI
InChI=1S/C10H11ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,2-3H2,1H3
InChIKey
NHWRHEOCEWDYPJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CCc1ccc(cc1)Cl
Isomeric Smiles
CC(=O)CCc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
19.591543
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.989233
LogD (pH = 7.4)
2.989233
Log P
2.989233
Molar Refractivity
50.3225
Polarizability
19.623997
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
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