Molecule

ID:53313

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClO₂
Molecular Mass
148.58746
Exact Mass
148.02910721
Charge
0
InChI
InChI=1S/C6H9ClO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2
InChIKey
RYGUCYSSMOFTSH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CCOCC1
Isomeric Smiles
C1(CCOCC1)C(=O)Cl
Calculated Properties
JChem
Acid pKa
18.385933
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.73098975
LogD (pH = 7.4)
0.73098975
Log P
0.73098975
Molar Refractivity
35.2529
Polarizability
13.762588
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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