Molecule

ID:62387

General Information
Structure
Molecular Formula
C₁₆H₂₄ClN₃O₂
Molecular Mass
325.83366
Exact Mass
325.1557047
Charge
0
InChI
InChI=1S/C16H23N3O2.ClH/c20-16(19-11-14-2-1-9-21-14)13-3-4-15(18-10-13)12-5-7-17-8-6-12;/h3-4,10,12,14,17H,1-2,5-9,11H2,(H,19,20);1H
InChIKey
CKIHUAGHWRGZIE-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(nc1)C1CCNCC1)NCC1CCCO1.Cl
Isomeric Smiles
c1(C(=O)NCC2OCCC2)cnc(cc1)C1CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
14.051306
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.73278
LogD (pH = 7.4)
-1.9887671
Log P
0.48342684
Molar Refractivity
81.154
Polarizability
31.366482
Polar Surface Area
63.25
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