Molecule
ID:37662
General Information
Molecular Formula
C₆H₁₂ClNO
Molecular Mass
149.61858
Exact Mass
149.06074169
Charge
0
InChI
InChI=1S/C6H12ClNO/c1-3-5(2)8-6(9)4-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
NQOKLKIMNNTVAC-UHFFFAOYSA-N
Canonic Smiles
CCC(NC(=O)CCl)C
Isomeric Smiles
C(=O)(NC(CC)C)CCl
Calculated Properties
JChem
Acid pKa
13.251787
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.026637
LogD (pH = 7.4)
1.0266364
Log P
1.026637
Molar Refractivity
37.8072
Polarizability
14.850778
Polar Surface Area
29.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...