Molecule

ID:56296

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₂
Molecular Mass
198.64614
Exact Mass
198.04475727
Charge
0
InChI
InChI=1S/C10H11ClO2/c1-2-8-3-5-9(6-4-8)13-7-10(11)12/h3-6H,2,7H2,1H3
InChIKey
ACDQQTPPIQNNLU-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OCC(=O)Cl
Isomeric Smiles
C(=O)(COc1ccc(cc1)CC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7848775
LogD (pH = 7.4)
2.7848775
Log P
2.7848775
Molar Refractivity
52.1065
Polarizability
20.23723
Polar Surface Area
26.3
Rotatable Bonds
4
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