Molecule

ID:43852

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃ClN₂O₂
Molecular Mass
286.79762
Exact Mass
286.14480567
Charge
0
InChI
InChI=1S/C14H22N2O2.ClH/c1-14(2,11-16(3)4)10-15-13(17)18-12-8-6-5-7-9-12;/h5-9H,10-11H2,1-4H3,(H,15,17);1H
InChIKey
XPWGIULJCIKVPE-UHFFFAOYSA-N
Canonic Smiles
CN(CC(CNC(=O)Oc1ccccc1)(C)C)C.Cl
Isomeric Smiles
C(=O)(NCC(CN(C)C)(C)C)Oc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
14.661615
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.81002504
LogD (pH = 7.4)
0.6075784
Log P
2.5209167
Molar Refractivity
72.4076
Polarizability
28.465178
Polar Surface Area
41.57
Rotatable Bonds
6
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