Molecule

ID:30419

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀ClN₃
Molecular Mass
289.8031
Exact Mass
289.13457534
Charge
0
InChI
InChI=1S/C16H20ClN3/c1-4-20(5-2)16-14(15(17)18-12(3)19-16)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3
InChIKey
LZAHZZXJYLHUDH-UHFFFAOYSA-N
Canonic Smiles
CCN(c1nc(C)nc(c1Cc1ccccc1)Cl)CC
Isomeric Smiles
c1(c(nc(nc1Cl)C)N(CC)CC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.012188
LogD (pH = 7.4)
5.01778
Log P
5.0178514
Molar Refractivity
87.1893
Polarizability
32.095135
Polar Surface Area
29.02
Rotatable Bonds
5
Lipinski's Rule of Five
false
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