Molecule

ID:45654

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClNO₂
Molecular Mass
149.57552
Exact Mass
149.02435618
Charge
0
InChI
InChI=1S/C5H8ClNO2/c6-1-5(8)9-4-2-7-3-4/h4,7H,1-3H2
InChIKey
VAQAQBITYJTIOP-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OC1CNC1
Isomeric Smiles
N1CC(OC(=O)CCl)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.729107
LogD (pH = 7.4)
-1.0229772
Log P
-0.016269136
Molar Refractivity
32.5916
Polarizability
13.440741
Polar Surface Area
38.33
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