Molecule

ID:55817

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃ClN₂O₂
Molecular Mass
310.81902
Exact Mass
310.14480567
Charge
0
InChI
InChI=1S/C16H22N2O2.ClH/c19-16(18-14-6-7-14)13-4-1-5-15(9-13)20-11-12-3-2-8-17-10-12;/h1,4-5,9,12,14,17H,2-3,6-8,10-11H2,(H,18,19);1H
InChIKey
CMLREFPUPJEVIS-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(c1)OCC1CCCNC1)NC1CC1.Cl
Isomeric Smiles
C(=O)(NC1CC1)c1cc(OCC2CNCCC2)ccc1.Cl
Calculated Properties
JChem
Acid pKa
14.700089
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7205163
LogD (pH = 7.4)
-1.0629282
Log P
1.5013711
Molar Refractivity
78.5831
Polarizability
30.477016
Polar Surface Area
50.36
Rotatable Bonds
5
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