Molecule

ID:59197

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClO₂
Molecular Mass
134.56088
Exact Mass
134.01345714
Charge
0
InChI
InChI=1S/C5H7ClO2/c6-3-4-1-2-5(7)8-4/h4H,1-3H2
InChIKey
HPLJEKXDAFHJPD-UHFFFAOYSA-N
Canonic Smiles
ClCC1CCC(=O)O1
Isomeric Smiles
C1C(=O)OC(C1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8738082
LogD (pH = 7.4)
0.8738082
Log P
0.8738082
Molar Refractivity
29.3216
Polarizability
11.913456
Polar Surface Area
26.3
Rotatable Bonds
1
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