Molecule

ID:60224

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClNO₂
Molecular Mass
161.58622
Exact Mass
161.02435618
Charge
0
InChI
InChI=1S/C6H8ClNO2/c1-8-3-4(6(7)10)2-5(8)9/h4H,2-3H2,1H3
InChIKey
HPNQOUDCVFXCEP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CC(=O)N(C1)C
Isomeric Smiles
N1(CC(CC1=O)C(=O)Cl)C
Calculated Properties
JChem
Acid pKa
17.661633
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.44395167
LogD (pH = 7.4)
-0.4439516
Log P
-0.4439516
Molar Refractivity
37.099
Polarizability
14.331262
Polar Surface Area
37.38
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