Molecule

ID:48730

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅ClN₂O₂
Molecular Mass
182.6485
Exact Mass
182.08220541
Charge
0
InChI
InChI=1S/C6H14N2O2.ClH/c1-5(7)6(10)8(2)3-4-9;/h5,9H,3-4,7H2,1-2H3;1H
InChIKey
QIQURJAGCSLRGR-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C(N)C)CCO.Cl
Isomeric Smiles
C(=O)(N(CCO)C)C(N)C.Cl
Calculated Properties
JChem
Acid pKa
15.574768
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.278703
LogD (pH = 7.4)
-2.6492233
Log P
-1.6284038
Molar Refractivity
38.4052
Polarizability
15.164111
Polar Surface Area
66.56
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