Molecule

ID:48707

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅ClN₂O₂
Molecular Mass
182.6485
Exact Mass
182.08220541
Charge
0
InChI
InChI=1S/C6H14N2O2.ClH/c1-2-8(3-4-9)6(10)5-7;/h9H,2-5,7H2,1H3;1H
InChIKey
SOWVIYKQWNEFKF-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)CN)CC.Cl
Isomeric Smiles
C(=O)(N(CCO)CC)CN.Cl
Calculated Properties
JChem
Acid pKa
15.57421
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.328261
LogD (pH = 7.4)
-2.6441731
Log P
-1.84036
Molar Refractivity
38.6599
Polarizability
15.164111
Polar Surface Area
66.56
Rotatable Bonds
4
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